Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924339 | 0.84 | KMT2A (0.50) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL8487839 | 0.76 | KMT2A (0.62) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL13898851 | 0.76 | KMT2A (0.62) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL21738352 | 0.72 | KMT2A (0.41) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL4177985 | 0.72 | CYP1A2 (0.55) | KMT2AALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL27377058 | 0.68 | KMT2A (0.44) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL27376550 | 0.68 | ALDH1A1 (0.43) | KMT2AALDH1A1TSHRCYP19A1SMN1; SMN2 | |
| SCHEMBL13057573 | 0.68 | ME1 (0.49) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL12640683 | 0.67 | CYP19A1 (0.62) | KMT2AALDH1A1GAACYP1A2CYP3A4 | |
| SCHEMBL1337731 | 0.66 | BCL2 (0.59) | KMT2AALDH1A1CYP3A4HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2516392-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011076678-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-30 | — | — | WO | disclosed |