Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14339123 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6HTR1AADRA1DADRA1A | |
| SCHEMBL22113996 | 0.78 | PLAU (0.42) | CYP1A2CYP2A6PDE3BPDE3ANOS2 | |
| SCHEMBL10245894 | 0.75 | NOS2 (0.45) | CYP2A6PDE3BPDE3ANOS2ALDH1A1 | |
| SCHEMBL11262866 | 0.74 | PDE3B (0.38) | PDE3BPDE3AALDH1A1TSHRKDM4E | |
| SCHEMBL30179063 | 0.74 | CYP2A6 (0.52) | CYP2A6PDE3BPDE3ANOS2ALDH1A1 | |
| SCHEMBL4066216 | 0.74 | CYP2A6 (0.52) | CYP2A6PDE3BPDE3ANOS2ALDH1A1 | |
| SCHEMBL11249116 | 0.73 | TDP1 (0.47) | CYP1A2PDE3BPDE3AALDH1A1KDM4E | |
| SCHEMBL26538712 | 0.73 | KDM4E (0.48) | CYP1A2PDE3BPDE3AHTR1AADRA1D | |
| SCHEMBL8404538 | 0.72 | CYP2A6 (0.59) | CYP1A2CYP2A6PDE3BPDE3AHTR1A | |
| SCHEMBL30417914 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP2A6HTR1AADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603899-B1 | HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN | GLAXO GROUP LTD (GB) | 2009-08-26 | — | — | EP | disclosed |