Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.43 |
| ▸ | RHOC | P08134 | 1/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5379459 | 1.00 | TACR1 (0.43) | TACR1RHOCRHOACA1CA2 | |
| Hydrochloric Acid SCHEMBL5368680 | 0.99 | TACR1 (0.43) | TACR1RHOCRHOA | |
| Hydrochloric Acid SCHEMBL5368671 | 0.99 | TACR1 (0.43) | TACR1RHOCRHOA | |
| Hydrochloric Acid SCHEMBL5363984 | 0.95 | TACR1 (0.40) | TACR1RHOCRHOACA1CA2 | |
| Hydrochloric Acid SCHEMBL5363980 | 0.95 | TACR1 (0.40) | TACR1RHOCRHOACA1CA2 | |
| Hydrochloric Acid SCHEMBL5371490 | 0.92 | TACR1 (0.39) | TACR1RHOCRHOACA1CA2 | |
| Hydrochloric Acid SCHEMBL5371917 | 0.92 | TACR1 (0.40) | TACR1 | |
| Hydrochloric Acid SCHEMBL5371911 | 0.92 | TACR1 (0.40) | TACR1 | |
| Hydrochloric Acid SCHEMBL5371493 | 0.92 | TACR1 (0.39) | TACR1RHOCRHOACA1CA2 | |
| SCHEMBL5372584 | 0.91 | TACR1 (0.44) | TACR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1140924-B1 | PIPERAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2006-03-22 | — | — | EP | claimed |