Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.51 |
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
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 | 0.84 | MAPT (0.46) | TAAR1IDO1DAOMEN1CHRM2 | |
| SCHEMBL25128958 | 0.81 | MAPT (0.44) | MAOAMAOBCYP3A4MEN1CHRM2 | |
| SCHEMBL4498539 | 0.81 | TAAR1 (0.50) | TAAR1MAOAMAOBIDO1AGXT | |
| SCHEMBL3180066 | 0.79 | CHRM2 (0.47) | TAAR1MEN1CHRM2CHRM4CHRM5 | |
| SCHEMBL1680672 | 0.79 | PNMT (0.60) | TAAR1PNMTSOS1MAOBCYP3A4 | |
| SCHEMBL4498868 | 0.78 | CHRM2 (0.53) | TAAR1MAOBIDO1AGXTMEN1 | |
| SCHEMBL4494660 | 0.77 | HPGD (0.49) | TAAR1MAOAMAOBIDO1MEN1 | |
| Water SCHEMBL9667780 | 0.77 | CHRM2 (0.45) | TAAR1CYP3A4MEN1CHRM2CHRM4 | |
| SCHEMBL4673264 | 0.77 | LMNA (0.47) | MAOAMAOB | |
| SCHEMBL8973362 | 0.76 | CHRM2 (0.52) | MEN1CHRM2CHRM4CHRM5CHRM1 |
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 |