Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL875288 | 0.83 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL10662272 | 0.82 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL42400 | 0.77 | TAAR1 (1.00) | TAAR1MAOBAOC3SIGMAR1ACHE | |
| Ammonia Solution, Strong SCHEMBL28996261 | 0.76 | TAAR1 (0.96) | TAAR1MAOBAOC3SIGMAR1ACHE | |
| Hydrochloric Acid SCHEMBL10917318 | 0.76 | TAAR1 (0.96) | TAAR1MAOBAOC3SIGMAR1ACHE | |
| Hydrochloric Acid SCHEMBL19950932 | 0.74 | TAAR1 (0.93) | TAAR1MAOBAOC3SIGMAR1ACHE | |
| SCHEMBL8486596 | 0.74 | KDM4E (0.72) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL10961422 | 0.72 | KDM4E (0.69) | KDM4EALDH1A1LMNACA1CA2 | |
| SCHEMBL30631696 | 0.72 | TAAR1 (0.86) | TAAR1MAOBAOC3SIGMAR1CHRM2 | |
| SCHEMBL28996135 | 0.72 | TAAR1 (0.86) | TAAR1MAOBAOC3SIGMAR1ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004071445-A2 | 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-26 | — | — | WO | disclosed |