Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 5/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4652298 | 0.84 | HSD17B3 (0.42) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL30979257 | 0.80 | TYR (0.48) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL1724358 | 0.80 | TYR (0.48) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL16528479 | 0.78 | ANPEP (0.49) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL29492456 | 0.78 | TYR (0.65) | TYRMEN1TP53CYP3A4ALOX5 | |
| SCHEMBL40375 | 0.78 | TYR (0.65) | TYRMEN1TP53CYP3A4ALOX5 | |
| SCHEMBL13019662 | 0.78 | TTR (0.36) | GABRA1GABRB2TTRTNIK | |
| SCHEMBL9579057 | 0.76 | TYR (0.56) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL2571546 | 0.76 | TYR (0.45) | TYRHSD17B3MEN1TP53CYP3A4 | |
| SCHEMBL16526930 | 0.76 | MAPT (0.39) | MAPTTSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937666-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2012-02-22 | — | — | EP | disclosed |