Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | 0.87 | TTR (0.42) | BCL2L1BADTTRALOX5PTGS1 | |
| SCHEMBL17469392 | 0.86 | CYP1B1 (0.42) | CYP1B1BCL2L1BADTTRALOX5 | |
| SCHEMBL17469335 | 0.84 | TRPA1 (0.48) | RELACYP1B1 | |
| SCHEMBL17469356 | 0.84 | BCL2L1 (0.38) | BCL2L1BADTTRALOX5PTGS1 | |
| SCHEMBL17469394 | 0.82 | BCHE (0.46) | RELACYP1B1ERN1NFE2L2 | |
| SCHEMBL17469397 | 0.81 | ALDH1A1 (0.42) | RELABCL2L1BADTTRALOX5 | |
| SCHEMBL17459520 | 0.77 | BCL2L1 (0.46) | BCL2L1BADDHODHTTRALOX5 | |
| SCHEMBL17459521 | 0.77 | BCL2L1 (0.46) | BCL2L1BADDHODHTTRALOX5 | |
| SCHEMBL17469357 | 0.77 | ERN1 (0.40) | ERN1TTRALOX5PTGS1PTGS2 | |
| SCHEMBL17469358 | 0.77 | TNFRSF1A (0.42) | ERN1 |
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 |