Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL222333 | 0.83 | MAOB (0.52) | ACHEKDM1AALDH1A1DRD2 | |
| SCHEMBL219755 | 0.80 | HTR1A (0.42) | ACHEKDM1AALDH1A1TSHR | |
| SCHEMBL19739574 | 0.77 | HPGD (0.56) | ACHEALDH1A1MAPK1HPGD | |
| SCHEMBL4457921 | 0.75 | HPGD (0.60) | ACHEALDH1A1MAPK1DRD2HPGD | |
| SCHEMBL16528120 | 0.75 | MAPK1 (0.46) | ACHEALDH1A1MAPK1HTTHPGD | |
| SCHEMBL220470 | 0.70 | SMYD3 (0.38) | ALDH1A1DRD2ADRA1DADRA1AADRA1B | |
| SCHEMBL3757316 | 0.70 | GLS (0.49) | — | |
| Tert-Butyl Formate SCHEMBL27733639 | 0.70 | ACHE (0.40) | ACHEALDH1A1MAPK1TSHRDRD2 | |
| SCHEMBL3759156 | 0.69 | CASP3 (0.49) | ALDH1A1HPGD | |
| SCHEMBL221548 | 0.69 | BRD4 (0.57) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8088925-B2 | low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents | SANOFI-AVENTIS (FR) | 2012-01-03 | — | — | US | disclosed |