Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | ILK | Q13418 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL11264388 | 1.00 | CYP1A2 (0.39) | CYP1A2GABRA2GABRB2MEN1KMT2A | |
| SCHEMBL11272379 | 0.84 | ALDH1A1 (0.39) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11272377 | 0.84 | ALDH1A1 (0.39) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11257079 | 0.82 | KDM4E (0.42) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11257084 | 0.82 | KDM4E (0.42) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11264828 | 0.80 | ALDH1A1 (0.41) | CYP1A2ALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL11251471 | 0.79 | ALDH1A1 (0.41) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11268619 | 0.78 | KDM4E (0.42) | MEN1KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL11268627 | 0.78 | KDM4E (0.42) | MEN1KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL11250171 | 0.76 | SMN1; SMN2 (0.40) | CYP1A2MEN1KMT2AALDH1A1NPC1 |
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-4349674-A | Quinoalinyl esters of carbamimidothioic acids | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-09-14 | — | — | US | claimed |
| US-4349674-A | Quinoalinyl esters of carbamimidothioic acids | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-09-14 | — | — | US | disclosed |