Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2386784 | 0.83 | ALDH1A1 (0.36) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL4555367 | 0.83 | ALDH1A1 (0.41) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL7868990 | 0.83 | TAAR1 (0.52) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL3116094 | 0.82 | TRPA1 (0.43) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL11035218 | 0.80 | CYP1A2 (0.43) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL17755167 | 0.79 | ESR1 (0.43) | HRH1TAAR1TSHRCYP3A4HTR2A | |
| SCHEMBL11444413 | 0.79 | TSHR (0.38) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL3995524 | 0.79 | CYP1A2 (0.42) | ALDH1A1TSHR | |
| SCHEMBL111291 | 0.78 | TSHR (0.59) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 | |
| SCHEMBL3820403 | 0.78 | TSHR (0.59) | TAAR1ALDH1A1TSHRCYP3A4ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130261023-A1 | SMALL MOLECULE PRINTING | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2013-10-03 | — | — | US | disclosed |
| EP-0266558-A2 | 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them | Roche Diagnostics GmbH (DE) | 1988-05-11 | — | — | EP | disclosed |