Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10650014 | 0.85 | ALDH1A1 (0.50) | TDP1ALDH1A1 | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL6480905 | 0.82 | CYP2A6 (0.58) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Butadiene SCHEMBL5137794 | 0.78 | ALDH1A1 (0.61) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| SCHEMBL14911 | 0.77 | — | — | |
| SCHEMBL679555 | 0.77 | ALDH1A1 (0.69) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Ethane SCHEMBL23051531 | 0.74 | ALDH1A1 (0.65) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL9861453 | 0.74 | ALDH1A1 (0.65) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL9861440 | 0.74 | ALDH1A1 (0.65) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Ammonia Solution, Strong SCHEMBL9397572 | 0.74 | ALDH1A1 (0.65) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 | |
| Ethylene SCHEMBL10713150 | 0.74 | ALDH1A1 (0.65) | CYP2A6RAB9ANPC1SMN1; SMN2TDP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4347365-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | claimed |
| US-4347364-A | INTERMEDIATES THEREFOR | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | claimed |
| WO-2014170343-A1 | DEPOLARIZING AGENTS AND NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING DOPAMINERGIC-RELATED DISORDERS | ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) | 2014-10-23 | — | — | WO | disclosed |
| CN-102786454-A | Bis[1-aryl(alkyl) substituted allyl]sulphane compound and synthetic method and application thereof | UNIV TONGJI | 2012-11-21 | — | — | CN | disclosed |
| US-20120202877-A1 | ANTI-INFLUENZA AGENTS | GRIFFITH UNIVERSITY (AU) | 2012-08-09 | — | — | US | disclosed |
| EP-2454248-A1 | ANTI -INFLUENZA AGENTS | Griffith University (AU) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006208-A1 | ANTI -INFLUENZA AGENTS | GRIFFITH UNIVERSITY (AU) | 2011-01-20 | — | — | WO | disclosed |
| EP-2152272-A2 | NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE | NeuroSearch A/S (DK) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008142140-A2 | NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2008-11-27 | — | — | WO | disclosed |
| EP-1995016-A1 | WATER-DISPERSED FLUX COMPOSITION, ELECTRONIC CIRCUIT BOARD WITH ELECTRONIC COMPONENT, AND THEIR PRODUCTION METHODS | Toeikasei Co., Ltd. (JP) | 2008-11-26 | — | — | EP | disclosed |
| EP-0216299-A1 | Quinoxaline derivatives, method for their preparartion and their use to protect cultivated plants against phytotoxical reaction of herbicides | BASF Aktiengesellschaft (DE) | 1987-04-01 | — | — | EP | 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 (1 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-20120202877-A1 | ANTI-INFLUENZA AGENTS | NEU1, NEU3, NEU4 | CYP2A6 1204/4885RAB9A 766/4885NPC1 1219/4885 |
“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.