Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3305733 | 0.81 | PTGS1 (0.56) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL8373781 | 0.80 | PTGS1 (0.54) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL31211453 | 0.80 | PTGS1 (0.54) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL1758978 | 0.80 | RXFP1 (0.56) | PTGS1PTGS2RXFP1KDM4ETSHR | |
| SCHEMBL30556624 | 0.80 | PTGS1 (0.54) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL26922447 | 0.78 | PTGS1 (0.44) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL2505187 | 0.78 | PTGS1 (0.51) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL10022660 | 0.78 | PTGS1 (0.51) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL1583802 | 0.77 | PTGS1 (0.41) | PTGS1PTGS2DHODHRXFP1KDM4E | |
| SCHEMBL2832275 | 0.76 | PTGS1 (0.50) | PTGS1PTGS2DHODHRXFP1KDM4E |
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-2017205538-A1 | PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |