Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | DRD3 | P35462 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL597327 | 0.95 | CYP2A6 (0.41) | CYP2A6ALDH1A1CYP2A13TSHRCHRM3 | |
| SCHEMBL598666 | 0.93 | CYP2A6 (0.46) | CYP2A6ALDH1A1CYP2A13TSHRDRD2 | |
| SCHEMBL30864984 | 0.83 | ACHE (0.46) | DRD2ACHE | |
| SCHEMBL2733639 | 0.75 | TRPV1 (0.49) | TSHRDRD2DRD3CHRM3CHRM2 | |
| SCHEMBL2733666 | 0.75 | TRPV1 (0.49) | TSHRDRD2DRD3CHRM3CHRM2 | |
| SCHEMBL16233586 | 0.75 | ADRA2A (0.49) | CHRM3CHRM2CHRM1ADRA2AADRA2B | |
| SCHEMBL2734503 | 0.75 | TRPV1 (0.49) | TSHRDRD2DRD3CHRM3CHRM2 | |
| SCHEMBL11960186 | 0.75 | DRD2 (0.64) | DRD2DRD3ADRA1A | |
| SCHEMBL5124383 | 0.75 | CHRM3 (0.41) | DRD2DRD3CHRM3CHRM2CHRM1 | |
| SCHEMBL16233583 | 0.75 | DRD2 (0.50) | DRD2DRD3CHRM3 |
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-1379602-B1 | PROCESS FOR THE MANUFACTURE OF TEMPERATURE-SENSITIVE POLYMERS | SOLUTIA INC (US) | 2008-11-05 | — | — | EP | disclosed |