Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 9/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16886218 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL17271346 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL278920 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL31091502 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL3120591 | 0.80 | KDM4E (0.53) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL16178487 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL28161450 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL15157392 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL10713653 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KDM4EHPGDHTR1B | |
| SCHEMBL20939886 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HSD17B10KDM4EHPGDHTR1B |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |