Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206585 | 0.82 | ALOX5 (0.51) | ALOX5TSHRKDM4ELMNACYP2C19 | |
| SCHEMBL2959538 | 0.80 | ALOX5 (0.50) | ALOX5TSHRKDM4ELMNACYP2C19 | |
| SCHEMBL3542930 | 0.76 | ALOX5 (0.46) | ALOX5TSHRGAAPKMMEN1 | |
| SCHEMBL2959546 | 0.73 | ALOX5 (0.43) | ALOX5TSHRKDM4ELMNACYP2C19 | |
| SCHEMBL256685 | 0.73 | — | — | |
| SCHEMBL7531155 | 0.73 | ALOX5 (0.37) | ALOX5KDM4ECYP2C19GAACA2 | |
| SCHEMBL11826682 | 0.73 | ALOX5 (0.44) | ALOX5TSHRKDM4ELMNACYP2C19 | |
| SCHEMBL702163 | 0.72 | — | — | |
| SCHEMBL1756881 | 0.72 | — | — | |
| SCHEMBL19792665 | 0.71 | ALOX5 (0.47) | ALOX5TSHRKDM4ELMNACYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5854237-A | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-12-29 | — | — | US | disclosed |
| US-5843944-A | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-12-01 | — | — | US | disclosed |
| US-5736540-A | CONGESTIVE HEART FAILURE | AMERICAN CYANAMID COMPANY (US) | 1998-04-07 | — | — | US | disclosed |