Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12187772 | 1.00 | FUCA1 (0.55) | FUCA1SIGMAR1ACHECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11836687 | 0.98 | FUCA1 (0.53) | FUCA1SIGMAR1ACHECYP1A2CYP3A4 | |
| SCHEMBL5540770 | 0.84 | FUCA1 (0.50) | FUCA1SIGMAR1ACHEALDH1A1DRD4 | |
| SCHEMBL1618174 | 0.84 | FUCA1 (0.50) | FUCA1SIGMAR1ALDH1A1DRD4S1PR1 | |
| SCHEMBL4669302 | 0.84 | FUCA1 (0.50) | FUCA1SIGMAR1ACHEALDH1A1DRD4 | |
| Hydrochloric Acid SCHEMBL1619305 | 0.82 | FUCA1 (0.49) | FUCA1SIGMAR1ALDH1A1DRD4S1PR1 | |
| SCHEMBL5316198 | 0.82 | DRD4 (0.50) | FUCA1SIGMAR1ACHECCR3DRD4 | |
| SCHEMBL17850378 | 0.81 | S1PR1 (0.50) | ACHEALDH1A1S1PR1S1PR5 | |
| SCHEMBL1927395 | 0.81 | KDM4E (0.51) | SIGMAR1ACHEALDH1A1S1PR1DRD2 | |
| SCHEMBL3315165 | 0.81 | FUCA1 (0.51) | FUCA1SIGMAR1ALDH1A1DRD4S1PR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10231970-B2 | Methods of producing heteropolycycles via bis-epoxidation | NV Heterocycles (US) | 2019-03-19 | — | — | US | disclosed |
| US-9937172-B2 | Mixtures of heteropolycycles | LIGHTNER DEREK ALTON (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170305907-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK ALTON (US) | 2017-10-26 | — | — | US | disclosed |
| US-20160158229-A1 | Mixtures of Heteropolycycles | LIGHTNER DEREK ALTON (US) | 2016-06-09 | — | — | US | disclosed |
| WO-2016054123-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK (US) | 2016-04-07 | — | — | WO | disclosed |
| WO-2015109451-A1 | SYNTHESIS OF COMPOUNDS CONTAINING 8-OXA-3-AZABICYCLO (3.2.1)OCTANE RING | RHODIA OPERATIONS (FR) | 2015-07-30 | — | — | WO | disclosed |
| US-8129371-B2 | Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-8129371-B2 | Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| WO-2009052145-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | WYETH (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20090098086-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | WYETH (US) | 2009-04-16 | — | — | US | disclosed |
| EP-1140924-B1 | PIPERAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2006-03-22 | — | — | EP | disclosed |
| US-20060014948-A1 | e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2006-01-19 | — | — | US | disclosed |
| EP-1525202-B1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-1546147-A1 | MORPHOLINE-BRIDGED INDAZOLE DERIVATIVES | Bayer HealthCare AG (DE) | 2005-06-29 | — | — | EP | disclosed |
| EP-1525202-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | Bayer HealthCare AG (DE) | 2005-04-27 | — | — | EP | disclosed |
| US-20040235863-A1 | Morpholine-bridged pyrazolopyridine derivatives | BAYER HEALTHCARE AG (DE) | 2004-11-25 | — | — | US | disclosed |
| WO-2004031186-A1 | MORPHOLINE-BRIDGED INDAZOLE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-04-15 | — | — | WO | disclosed |
| WO-2004009589-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-01-29 | — | — | WO | disclosed |
| EP-0230274-A2 | Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid | BAYER AG (DE) | 1987-07-29 | — | — | EP | disclosed |
| US-3953596-A | 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals | ICI UNITED STATES INC. (US) | 1976-04-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060014948-A1 | e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals | PKD2, TAC3, PKD1 | FUCA1 2352/4885SIGMAR1 803/4885ACHE 1726/4885 |
| US-20160158229-A1 | Mixtures of Heteropolycycles | UQCRC2, CYCS, TCP1 | FUCA1 4446/4885SIGMAR1 3151/4885ACHE 4848/4885 |
| US-10231970-B2 | Methods of producing heteropolycycles via bis-epoxidation | PARG, PPOX, DHPS | FUCA1 4557/4885SIGMAR1 2508/4885ACHE 4176/4885 |
| US-20090098086-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | MTOR, PIK3CA, PIK3CD | FUCA1 4578/4885SIGMAR1 3922/4885ACHE 4806/4885 |
| US-20170305907-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | PARG, PPOX, DHPS | FUCA1 4557/4885SIGMAR1 2508/4885ACHE 4176/4885 |
| US-20040235863-A1 | Morpholine-bridged pyrazolopyridine derivatives | GUCY1A1, PDE1A, PDE3B | FUCA1 3980/4885SIGMAR1 773/4885ACHE 1845/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.