Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
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 | 0.88 | TTR (0.42) | ALDH1A1MAPTKMT2ABCL2L1BAD | |
| SCHEMBL17469394 | 0.83 | BCHE (0.46) | ALDH1A1MAPTKMT2AMAOBRELA | |
| SCHEMBL17469392 | 0.82 | CYP1B1 (0.42) | ALDH1A1MAPTBCL2L1BADGAA | |
| SCHEMBL17469314 | 0.81 | RELA (0.42) | BCL2L1BADRELATTRALOX5 | |
| SCHEMBL17469356 | 0.80 | BCL2L1 (0.38) | MAPTBCL2L1BADGAATTR | |
| SCHEMBL17459521 | 0.79 | BCL2L1 (0.46) | ALDH1A1MAPTKMT2ABCL2L1BAD | |
| SCHEMBL17459520 | 0.79 | BCL2L1 (0.46) | ALDH1A1MAPTKMT2ABCL2L1BAD | |
| SCHEMBL17469335 | 0.78 | TRPA1 (0.48) | ALDH1A1MAPTKMT2AMAOBMAOA | |
| SCHEMBL17469357 | 0.76 | ERN1 (0.40) | ALDH1A1MAPTKMT2AMAOBMAOA | |
| SCHEMBL17469358 | 0.76 | TNFRSF1A (0.42) | ALDH1A1MAPTKMT2ALMNARAB9A |
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 |