Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | ANPEP | P15144 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | LAP3 | P28838 | 1/20 | 0.40 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10527461 | 0.99 | CYP19A1 (0.58) | CYP19A1CYP1A2CYP3A4KDM4EHRH3 | |
| SCHEMBL10527424 | 0.93 | CYP1A2 (0.50) | CYP19A1CYP1A2CYP3A4KDM4EHRH3 | |
| SCHEMBL10530031 | 0.83 | CYP19A1 (0.47) | CYP19A1CYP1A2CYP3A4KDM4EMEN1 | |
| SCHEMBL10527409 | 0.81 | CYP19A1 (0.45) | CYP19A1CYP1A2CYP3A4KDM4EMEN1 | |
| SCHEMBL9505466 | 0.79 | CYP19A1 (0.43) | CYP19A1KDM4EHRH3MEN1KMT2A | |
| SCHEMBL9503384 | 0.79 | CYP19A1 (0.43) | CYP19A1KDM4EHRH3MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL9503261 | 0.78 | CYP19A1 (0.42) | CYP19A1KDM4EHRH3MEN1KMT2A | |
| SCHEMBL10901068 | 0.78 | CYP19A1 (0.73) | CYP19A1CYP1A2CYP3A4MMP2MMP9 | |
| SCHEMBL4297790 | 0.76 | CYP19A1 (0.70) | CYP19A1CYP1A2CYP3A4MMP2MMP9 | |
| SCHEMBL16517900 | 0.76 | CYP19A1 (0.70) | CYP19A1CYP1A2CYP3A4MMP2MMP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253681-A2 | Cycloalkyl-substituted 4-pyridyl derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-01-20 | — | — | EP | claimed |
| US-4797411-A | ANTITUMOR AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1989-01-10 | — | — | US | disclosed |
| EP-0253681-A2 | Cycloalkyl-substituted 4-pyridyl derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-01-20 | — | — | EP | disclosed |