Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28748507 | 0.85 | ALDH1A1 (0.56) | ALDH1A1KMT2APOLBTLR8TSHR | |
| SCHEMBL7905621 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KMT2APOLBTLR8MAPT | |
| SCHEMBL1648730 | 0.84 | CYP3A4 (0.42) | ALDH1A1KMT2APOLBTLR8RXFP1 | |
| Bromide SCHEMBL29378435 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KMT2APOLBTLR8TSHR | |
| SCHEMBL14720501 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KMT2APOLBTLR8HPGD | |
| SCHEMBL6115119 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KMT2APOLBTLR8TSHR | |
| SCHEMBL7905618 | 0.80 | KMT2A (0.47) | ALDH1A1KMT2APOLBMAPTNPSR1 | |
| SCHEMBL6648272 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KMT2APOLBTLR8MAPT | |
| Hydrochloric Acid SCHEMBL1465868 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KMT2APOLBTLR8HPGD | |
| SCHEMBL16666189 | 0.79 | TLR8 (0.50) | ALDH1A1KMT2APOLBTLR8HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197975-B1 | 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS | MERCK & CO. , INC. | 2001-03-06 | — | — | US | disclosed |