Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | QDPR | P09417 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23137319 | 0.87 | CYP3A4 (0.90) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL29365311 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL49382 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| SCHEMBL8872306 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Hydrochloric Acid SCHEMBL2571374 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Hydrochloric Acid SCHEMBL30242948 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Methane SCHEMBL27949876 | 0.82 | CYP3A4 (0.90) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Hydrochloric Acid SCHEMBL864592 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Hydrochloric Acid SCHEMBL29368557 | 0.82 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRMAPK1ESR2 | |
| Benzidine SCHEMBL16243713 | 0.80 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRMAPK1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003738-B1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2003-11-19 | — | — | EP | disclosed |
| US-6391891-B1 | ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS | SMITHKLINE BEECHAM PLC (GB) | 2002-05-21 | — | — | US | disclosed |
| EP-1003738-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007700-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-18 | — | — | WO | disclosed |