Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13006176 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19 | |
| SCHEMBL13060854 | 0.83 | NPC1 (0.46) | NPC1SLC2A1FFAR1FFAR4CYP1A2 | |
| SCHEMBL13006165 | 0.82 | CYP1A2 (0.45) | NPC1FFAR1FFAR4CYP1A2CYP3A4 | |
| SCHEMBL13005468 | 0.80 | NPC1 (0.43) | NPC1SLC2A1FFAR1FFAR4CYP1A2 | |
| SCHEMBL10209695 | 0.80 | TLR4 (0.40) | NPC1FFAR1TDP1ALDH1A1MAPT | |
| SCHEMBL13006162 | 0.78 | ERN1 (0.43) | NPC1SLC2A1FFAR1FFAR4MEN1 | |
| SCHEMBL10266060 | 0.70 | SMPD1 (0.41) | NPC1FFAR1TDP1ALDH1A1MAPT | |
| SCHEMBL14970090 | 0.69 | SMPD1 (0.40) | NPC1FFAR1TDP1ALDH1A1MAPT | |
| SCHEMBL13006175 | 0.66 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19 | |
| SCHEMBL1659309 | 0.63 | HPGD (0.73) | CYP1A2CYP3A4CYP2C19ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |