Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | DRD3 | P35462 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14067429 | 0.86 | ALDH1A1 (0.55) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL10753513 | 0.83 | ALDH1A1 (0.56) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL5242066 | 0.83 | ALDH1A1 (0.52) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL14277821 | 0.82 | ALDH1A1 (0.58) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL5369665 | 0.81 | KDM4E (0.57) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL10752722 | 0.80 | ALDH1A1 (0.54) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL10753658 | 0.79 | CYP2C19 (0.52) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL5371755 | 0.79 | ALDH1A1 (0.55) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL6370163 | 0.79 | CYP2C19 (0.59) | ALDH1A1DRD3CYP2C19DRD1DRD4 | |
| SCHEMBL28687701 | 0.78 | CYP2C19 (0.55) | ALDH1A1DRD3CYP2C19DRD1DRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070275956-A1 | Novel Heterocyclic Compounds | CADILA HEALTHCARE LIMITED (IN) | 2007-11-29 | — | — | US | disclosed |
| US-20070123532-A1 | PIPERAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2007-05-31 | — | — | US | disclosed |
| US-7166598-B2 | 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 such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome | ASTELLAS PHARMA INC. (JP) | 2007-01-23 | — | — | 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 |
| WO-2005049589-A2 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES | CADILA HEALTHCARE LIMITED (IN) | 2005-06-02 | — | — | WO | 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 (3 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 | ALDH1A1 2048/4885DRD3 662/4885CYP2C19 2833/4885 |
| US-20070275956-A1 | Novel Heterocyclic Compounds | CYP46A1, DHCR7, NPC1L1 | ALDH1A1 1358/4885DRD3 2234/4885CYP2C19 123/4885 |
| US-20070123532-A1 | PIPERAZINE DERIVATIVES | PKD2, SSTR5, IL5 | ALDH1A1 1846/4885DRD3 561/4885CYP2C19 1189/4885 |
“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.