Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.43 |
| ▸ | HRH1 | P35367 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770684 | 0.94 | HRH1 (0.42) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL22042223 | 0.86 | TSHR (0.50) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL9198696 | 0.83 | HRH1 (0.65) | HTR2AHRH1TSHRTAAR1CHRNB2 | |
| SCHEMBL22042229 | 0.81 | TSHR (0.55) | HTR2AHRH1TSHRTAAR1 | |
| SCHEMBL2408107 | 0.80 | TSHR (0.44) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL8110499 | 0.78 | TSHR (0.42) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL5610361 | 0.78 | HRH1 (0.44) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL1374200 | 0.78 | POLB (0.45) | HTR2AHRH1TSHRSIGMAR1 | |
| SCHEMBL6596358 | 0.78 | TSHR (0.42) | HTR2AHRH1TSHRTAAR1SIGMAR1 | |
| SCHEMBL11865749 | 0.78 | TSHR (0.42) | HTR2AHRH1TSHRTAAR1CYP2C19 |
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-8304451-B2 | Histone deacetylase and tubulin deacetylase inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-11-06 | — | — | US | disclosed |