Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9837608 | 0.82 | CYP19A1 (0.51) | CYP19A1CHRM2CHRM3KCNH2LMNA | |
| SCHEMBL9837262 | 0.81 | CYP19A1 (0.49) | CYP19A1CHRM2CHRM3KCNH2LMNA | |
| SCHEMBL9837621 | 0.78 | CYP19A1 (0.52) | CYP19A1CHRM2CHRM3KCNH2LMNA | |
| SCHEMBL9839584 | 0.77 | CYP19A1 (0.51) | CYP19A1CHRM2CHRM3KCNH2LMNA | |
| SCHEMBL9837550 | 0.76 | EPHX1 (0.48) | LMNARAB9AEPHX1CYP2C19GAA | |
| SCHEMBL9838936 | 0.75 | CYP19A1 (0.41) | CYP19A1CHRM3RAB9A | |
| SCHEMBL19105261 | 0.72 | EPHX1 (0.49) | CYP19A1CHRM2CHRM3CHRM1KCNH2 | |
| SCHEMBL2680728 | 0.70 | EPHX1 (0.47) | CYP19A1CHRM2CHRM3CHRM1KCNH2 | |
| SCHEMBL26453033 | 0.70 | CYP19A1 (0.50) | CYP19A1CHRM2CHRM3CHRM1KCNH2 | |
| SCHEMBL31147066 | 0.70 | CYP19A1 (0.52) | CYP19A1CHRM2CHRM3CHRM1KCNH2 |
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-0276122-B1 | CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-08-07 | — | — | EP | disclosed |
| US-4847295-A | ANTITUMOR AGENTS | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-07-11 | — | — | US | disclosed |
| EP-0276122-A2 | Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-07-27 | — | — | EP | disclosed |