Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431861 | 1.00 | ALDH1A1 (0.42) | ALDH1A1NISCHACHERAB9AMAOB | |
| SCHEMBL2537581 | 0.79 | ALDH1A1 (0.38) | ALDH1A1NISCHMAOBMAOA | |
| SCHEMBL28911580 | 0.75 | HRH3 (0.46) | ALDH1A1MAOBMAOA | |
| SCHEMBL145371 | 0.74 | MAOB (0.44) | ALDH1A1MAOBMAOAHTR2CKDM1A | |
| SCHEMBL5534036 | 0.74 | HRH2 (0.41) | ALDH1A1MAOBMAOAKMT2ANOS1 | |
| SCHEMBL14974371 | 0.72 | ALDH1A1 (0.42) | ALDH1A1RAB9AMAOBKDM1A | |
| SCHEMBL695560 | 0.72 | ALDH1A1 (0.42) | ALDH1A1NISCHRAB9AMAOBKDM1A | |
| SCHEMBL17652437 | 0.72 | ALDH1A1 (0.42) | ALDH1A1RAB9AMAOBMAOAKDM1A | |
| SCHEMBL21525 | 0.70 | ALDH1A1 (0.35) | ALDH1A1NISCHMAOBMAOASLC22A2 | |
| SCHEMBL14697788 | 0.70 | MAOB (0.35) | ALDH1A1ACHEMAOBMAOAKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102300550-A | Perfume systems | — | 2011-12-28 | — | — | CN | claimed |
| WO-2017027312-A1 | GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES | JANSSEN PHARMACEUTICA NV (BE) | 2017-02-16 | — | — | WO | disclosed |
| US-5385906-A | Treating gramnegative and grampositive bacterial infections | THE UPJOHN COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| US-5262417-A | Antibacterial quinolone compounds | THE UPJOHN COMPANY (US) | 1993-11-16 | — | — | US | disclosed |
| EP-0447484-A1 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| WO-1990006307-A2 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1990-06-14 | — | — | WO | disclosed |
| US-4433248-A | Charged aerosol wind/electric power generator with solar and/or gravitational regeneration | MARKS ALVIN M | 1984-02-21 | — | — | US | disclosed |