Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | ELANE | P08246 | 7/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | BAX | Q07812 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9595848 | 0.94 | DRD4 (0.39) | ESR1CYP19A1ELANEDRD4DRD2 | |
| SCHEMBL9359225 | 0.91 | HTR1B (0.38) | ELANECYP1A2MEN1MAPTTHRB | |
| SCHEMBL9359229 | 0.91 | HTR1B (0.38) | ELANECYP1A2MEN1MAPTTHRB | |
| SCHEMBL9359262 | 0.91 | HTR1B (0.38) | ELANECYP1A2MEN1MAPTTHRB | |
| SCHEMBL9363320 | 0.88 | NPC1 (0.45) | LTA4HLMNACYP1A2CYP2C19PTGS2 | |
| SCHEMBL9359049 | 0.87 | SLC6A4 (0.40) | ELANEDRD4DRD2DRD3LMNA | |
| SCHEMBL9359074 | 0.84 | KMT2A (0.49) | ELANELMNACYP1A2NPC1MAPT | |
| SCHEMBL9358624 | 0.84 | CYP3A4 (0.43) | ESR1DRD4DRD2DRD3ESR2 | |
| SCHEMBL9358617 | 0.84 | CYP3A4 (0.43) | ESR1DRD4DRD2DRD3ESR2 | |
| SCHEMBL9358620 | 0.84 | CYP3A4 (0.43) | ESR1DRD4DRD2DRD3ESR2 |
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-0363782-B1 | Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines | ERBA CARLO SPA (IT) | 1994-01-05 | — | — | EP | disclosed |
| US-5272144-A | Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use | FARMITALIA CARLO ERBA S.R.L. (IT) | 1993-12-21 | — | — | US | disclosed |
| WO-1990003965-A1 | ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES | FARMITALIA CARLO ERBA S.R.L. (IT) | 1990-04-19 | — | — | WO | disclosed |