Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | DRD5 | P21918 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317615 | 0.95 | ALDH1A1 (0.59) | ALDH1A1USP2HPGDMEN1LMNA | |
| Hydrochloric Acid SCHEMBL9528327 | 0.94 | USP2 (0.58) | ALDH1A1USP2HPGDMEN1LMNA | |
| SCHEMBL7324659 | 0.94 | MEN1 (0.59) | ALDH1A1USP2HPGDMEN1LMNA | |
| Hydrochloric Acid SCHEMBL9528529 | 0.93 | MEN1 (0.58) | ALDH1A1USP2HPGDMEN1LMNA | |
| SCHEMBL1381569 | 0.86 | HRH3 (0.56) | ALDH1A1USP2HPGDMEN1LMNA | |
| Hydrochloric Acid SCHEMBL7322124 | 0.86 | SIGMAR1 (0.56) | ALDH1A1USP2HPGDSIGMAR1 | |
| SCHEMBL9346098 | 0.85 | TSHR (0.48) | ALDH1A1USP2HPGDHRH3DRD2 | |
| SCHEMBL9589799 | 0.85 | TSHR (0.48) | ALDH1A1USP2HPGDHRH3DRD2 | |
| SCHEMBL9344356 | 0.84 | TSHR (0.47) | ALDH1A1USP2HPGDMEN1LMNA | |
| SCHEMBL9346122 | 0.84 | TSHR (0.47) | ALDH1A1USP2HPGDMEN1LMNA |
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-1992002502-A1 | N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-02-20 | — | — | WO | disclosed |