Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8068540 | 0.92 | HTR2A (0.52) | HTR2AEPHX1DPP4CYP2D6CYP1A2 | |
| SCHEMBL9194002 | 0.92 | HTR2A (0.52) | HTR2AEPHX1DPP4CYP2D6CYP1A2 | |
| SCHEMBL9200543 | 0.92 | HTR2A (0.52) | HTR2AEPHX1DPP4CYP2D6CYP1A2 | |
| Bromide SCHEMBL8209117 | 0.88 | CYP1A2 (0.55) | HTR2ADPP4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL272604 | 0.85 | EPHX1 (0.61) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL468022 | 0.85 | EPHX1 (0.61) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL3451169 | 0.85 | EPHX1 (0.61) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 | |
| Hydrochloric Acid SCHEMBL28839661 | 0.83 | EPHX1 (0.58) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL9323047 | 0.82 | EPHX1 (0.52) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 | |
| SCHEMBL17463566 | 0.82 | EPHX1 (0.52) | EPHX1CYP2D6CYP1A2CYP2C19SLC6A2 |
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-5508401-A | N-METHYL-D-ASPARTATE ANTAGONISTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |
| EP-0573548-B1 | NEUROPROTECTANT AGENTS | AMERICAN HOME PROD (US) | 1995-07-12 | — | — | EP | disclosed |