Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6695373 | 0.88 | ATM (0.51) | ATMCYP1A2CYP3A4CYP2C19TAAR1 | |
| SCHEMBL1740895 | 0.85 | DRD2 (0.49) | ATMCYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL10939799 | 0.85 | ATM (0.62) | ATMCYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL11142783 | 0.85 | ATM (0.45) | ATMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL11264335 | 0.85 | ATM (0.47) | ATMCYP1A2CYP3A4CYP2C19TAAR1 | |
| SCHEMBL11659758 | 0.84 | KLK1 (0.39) | ATMPKMDRD2HTR2AHTR2B | |
| SCHEMBL11659085 | 0.81 | CACNA1C (0.42) | ALDH1A1KMT2AL3MBTL1KLK1KLK5 | |
| SCHEMBL11660887 | 0.78 | DRD2 (0.40) | PKMDRD2HTR2AHTR2BGRIN2D | |
| SCHEMBL11842943 | 0.78 | DRD2 (0.40) | ATMCYP1A2CYP2C19PKMDRD2 | |
| SCHEMBL11665157 | 0.78 | DRD2 (0.40) | CYP1A2CYP2C19PKMDRD2HTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4326075-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4117165-A | ANTIULCER, HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |