Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4505633 | 0.82 | MAPT (0.46) | TAAR1IDO1DAOACHEPOLB | |
| SCHEMBL4485406 | 0.81 | TAAR1 (0.51) | TAAR1MAOAMAOBIDO1AGXT | |
| SCHEMBL25128958 | 0.79 | MAPT (0.44) | MAOAMAOBACHEPOLBMEN1 | |
| SCHEMBL1680634 | 0.79 | TAAR1 (0.50) | TAAR1MAOBIDO1AGXTDAO | |
| SCHEMBL4492592 | 0.78 | POLB (0.45) | TAAR1MAOAMAOBPOLBMEN1 | |
| SCHEMBL4674508 | 0.78 | ALDH1A1 (0.46) | IDH1MAOAMAOBPOLBMEN1 | |
| SCHEMBL3180066 | 0.77 | CHRM2 (0.47) | TAAR1POLBMEN1CHRM2CHRM4 | |
| SCHEMBL4498868 | 0.77 | CHRM2 (0.53) | TAAR1IDH1MAOBIDO1AGXT | |
| Water SCHEMBL9667780 | 0.76 | CHRM2 (0.45) | TAAR1POLBMEN1CHRM2CHRM4 | |
| SCHEMBL1680877 | 0.76 | ALDH1A1 (0.46) | TAAR1IDH1MAOAMAOBIDO1 |
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-7576198-B1 | Integrase inhibitors containing aromatic heterocycle derivatives | SHIONOGI & CO., LTD. (JP) | 2009-08-18 | — | — | US | disclosed |
| EP-1219607-A1 | INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-07-03 | — | — | EP | disclosed |