Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15519547 | 0.82 | DRD2 (0.60) | HRH3BCHECYP2D6DRD2KDM4E | |
| SCHEMBL5075020 | 0.76 | CYP2A13 (0.58) | HRH3CYP2D6KDM4EALDH1A1CYP2A13 | |
| SCHEMBL29417692 | 0.74 | CYP2A13 (0.56) | CYP2D6KDM4EALDH1A1CYP2A13ERN1 | |
| SCHEMBL19603399 | 0.74 | CYP2A13 (0.56) | CYP2D6KDM4EALDH1A1CYP2A13ERN1 | |
| SCHEMBL17724305 | 0.74 | CYP2A13 (0.56) | CYP2D6KDM4EALDH1A1CYP2A13ERN1 | |
| SCHEMBL7559226 | 0.74 | CYP2C9 (0.61) | CYP2D6KDM4EALDH1A1CYP2A13ERN1 | |
| SCHEMBL16243516 | 0.74 | CYP2A13 (0.49) | CYP2D6KDM4EALDH1A1CYP2A13ERN1 | |
| SCHEMBL1856027 | 0.74 | BCHE (0.79) | HRH3BCHECYP2D6DRD2KDM4E | |
| SCHEMBL24216523 | 0.73 | HRH3 (0.55) | HRH3BCHECYP2D6DRD2KDM4E | |
| SCHEMBL30409927 | 0.73 | HRH3 (0.55) | HRH3BCHECYP2D6DRD2KDM4E |
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-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | disclosed |