Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | BAD | Q92934 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469313 | 0.93 | TTR (0.42) | NFE2L2BCL2L1BADTTRALOX5 | |
| SCHEMBL17469356 | 0.90 | BCL2L1 (0.38) | NFE2L2BCL2L1BADTTRALOX5 | |
| SCHEMBL17469335 | 0.87 | TRPA1 (0.48) | CYP1B1EGFRMMP1MMP2MMP9 | |
| SCHEMBL17469314 | 0.86 | RELA (0.42) | CYP1B1NFE2L2BCL2L1BADTTR | |
| SCHEMBL17459521 | 0.83 | BCL2L1 (0.46) | NFE2L2BCL2L1BADTTRALOX5 | |
| SCHEMBL17459520 | 0.83 | BCL2L1 (0.46) | NFE2L2BCL2L1BADTTRALOX5 | |
| SCHEMBL17469397 | 0.82 | ALDH1A1 (0.42) | BCL2L1BADTTRALOX5PTGS1 | |
| SCHEMBL17469394 | 0.80 | BCHE (0.46) | CYP1B1NFE2L2MMP1MMP2MMP9 | |
| SCHEMBL17469357 | 0.80 | ERN1 (0.40) | TTRALOX5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL17469358 | 0.80 | TNFRSF1A (0.42) | ALDH1A1HPGDMAPTCYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | disclosed |