Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29240141 | 0.80 | GSK3B (0.41) | CYP1A2CYP3A4HSD17B10ALOX15GAA | |
| SCHEMBL2488050 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL30630379 | 0.78 | TRPA1 (0.38) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL30850611 | 0.77 | BRAF (0.42) | HSD17B10GAAALDH1A1HPGDKDM4E | |
| SCHEMBL680853 | 0.77 | NPC1 (0.45) | CYP3A4HSD17B10GAAALDH1A1MAPK1 | |
| SCHEMBL30707907 | 0.77 | USP1 (0.39) | — | |
| SCHEMBL27436087 | 0.76 | ALOX5AP (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL18725509 | 0.76 | PDK2 (0.31) | HSD17B10GAAALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL4456673 | 0.76 | NPC1 (0.44) | CYP3A4HSD17B10GAAALDH1A1MAPK1 | |
| SCHEMBL4924089 | 0.73 | KDM4E (0.48) | CYP1A2HSD17B10ALOX15METAP2MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |