Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | USP2 | O75604 | 10/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5553371 | 0.81 | CYP3A4 (0.61) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557693 | 0.81 | CYP3A4 (0.55) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5553322 | 0.78 | USP2 (0.63) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5558262 | 0.76 | USP2 (0.49) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557778 | 0.76 | CYP3A4 (0.49) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557913 | 0.76 | PLD2 (0.55) | CYP3A4TSHRUSP2HSD17B10HIF1A | |
| SCHEMBL5553130 | 0.74 | CYP3A4 (0.64) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557707 | 0.74 | USP2 (0.53) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557466 | 0.74 | USP2 (0.55) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5557537 | 0.74 | USP2 (0.52) | CYP3A4TSHRUSP2HSD17B10CYP2C9 |
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-1292596-B1 | 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |