Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11416817 | 0.97 | DHODH (0.50) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL11250627 | 0.89 | DHODH (0.45) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL21306416 | 0.88 | PDE10A (0.48) | DHODHPARP1AHRADORA3ADORA1 | |
| Lotrifen SCHEMBL2107797 | 0.88 | NR1H3 (0.47) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL11413909 | 0.88 | AHR (0.63) | DHODHPARP1AHRADORA3KDR | |
| SCHEMBL11246290 | 0.84 | CYP11B2 (0.43) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL11417325 | 0.84 | ADORA3 (0.46) | DHODHAHRADORA3ADORA1GAA | |
| SCHEMBL11241095 | 0.83 | DHODH (0.48) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL11267545 | 0.83 | DHODH (0.48) | DHODHPARP1AHRADORA3ADORA1 | |
| SCHEMBL11413315 | 0.82 | THRB (0.46) | DHODHADORA3NPC1RAB9AMEN1 |
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-4313950-A | Antireproductive tricyclic ortho-fused nitrogen containing compounds | GRUPPO LEPETIT S.P.A. (IT) | 1982-02-02 | — | — | US | disclosed |
| US-4275066-A | 1,2,4-TRIAZOLO(5.1A)ISOINDOZE, TRIAZOLO(5.1A) ISOQUINOLINE OR 1,2,4,-TRIAZOLO (5.1A)(2) BENZAZEPINE CONTRACEPTIVES | GRUPPO LEPETIT S.P.A. (IT) | 1981-06-23 | — | — | US | disclosed |