Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.47 |
| ▸ | DRD4 | P21917 | 9/20 | 0.47 |
| ▸ | DRD3 | P35462 | 9/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237103 | 0.83 | IDO1 (0.46) | DRD2DRD4DRD3AGXTCHRM2 | |
| SCHEMBL6239315 | 0.82 | TSHR (0.50) | DRD2DRD4DRD3HTR1AADRA1D | |
| Hydrochloric Acid SCHEMBL5007115 | 0.81 | IDO1 (0.47) | DRD2DRD4DRD3CYP1A2TAAR1 | |
| SCHEMBL21518158 | 0.81 | AGXT (0.56) | AGXTCYP1A2CYP2A6TAAR1KCNH2 | |
| SCHEMBL25985295 | 0.79 | TSHR (0.47) | DRD2DRD4DRD3HTR1AADRA1D | |
| P-Xylene SCHEMBL28267317 | 0.79 | CA12 (0.56) | DRD2DRD4DRD3CHRM2CYP1A2 | |
| SCHEMBL12402009 | 0.78 | AGXT (0.47) | AGXTCHRM2HTR1AADRA1DADRA1A | |
| SCHEMBL16682540 | 0.78 | AGXT (0.52) | AGXTCYP1A2CYP2A6TAAR1KCNH2 | |
| SCHEMBL6237705 | 0.78 | RAB9A (0.45) | AGXTCYP1A2CA1CA2CA9 | |
| SCHEMBL12270598 | 0.77 | LYPLA1 (0.41) | DRD2DRD4DRD3AGXTCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005011697-A2 | SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |