Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 2/20 | 0.31 |
| ▸ | HPD | P32754 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16130152 | 0.94 | ALDH1A1 (0.34) | SMN1; SMN2ALDH1A1HPGDCNR2CHRM4 | |
| SCHEMBL9921562 | 0.87 | TLR2 (0.34) | ALDH1A1HPGDCNR2MMP13MMP1 | |
| SCHEMBL14122561 | 0.86 | MMP13 (0.34) | SMN1; SMN2ALDH1A1HPGDCHRM4S1PR5 | |
| SCHEMBL9905183 | 0.83 | CNR2 (0.34) | SMN1; SMN2ALDH1A1HPGDCNR2USP2 | |
| SCHEMBL9905364 | 0.83 | MAPT (0.35) | SMN1; SMN2ALDH1A1HPGDCNR2MAOA | |
| SCHEMBL9905325 | 0.78 | SIGMAR1 (0.35) | SMN1; SMN2ALDH1A1HPGDCNR2CHRM4 | |
| SCHEMBL14214195 | 0.77 | PRSS1 (0.35) | SMN1; SMN2ALDH1A1HPGDCNR2MAOA | |
| SCHEMBL14214196 | 0.77 | CNR2 (0.35) | SMN1; SMN2ALDH1A1HPGDCNR2CYP1A2 | |
| SCHEMBL9905089 | 0.77 | CHRM4 (0.34) | SMN1; SMN2ALDH1A1HPGDCNR2CHRM4 | |
| SCHEMBL14214198 | 0.76 | ALDH1A1 (0.32) | SMN1; SMN2ALDH1A1HPGDUSP2CYP1A2 |
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-2649074-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078844-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |