Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LIPE | Q05469 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL890076 | 0.84 | CYP2A13 (0.59) | CYP2A13HCRTR1HCRTR2CYP2C9ALOX15 | |
| SCHEMBL304670 | 0.82 | CYP2A13 (0.57) | CYP2A13CYP2C9ALOX15HSD17B10NPC1 | |
| SCHEMBL888767 | 0.81 | CYP2A13 (0.56) | CYP2A13CYP2C9ALOX15HSD17B10NPC1 | |
| SCHEMBL10150886 | 0.81 | CYP2A13 (0.56) | CYP2A13HCRTR1HCRTR2CYP2C9ALOX15 | |
| SCHEMBL5216465 | 0.80 | HCRTR1 (0.60) | CYP2A13HCRTR1HCRTR2CYP2C9ALOX15 | |
| SCHEMBL8907096 | 0.80 | CYP2A13 (0.55) | CYP2A13CYP2C9ALOX15HSD17B10NPC1 | |
| SCHEMBL15391665 | 0.79 | SMN1; SMN2 (0.60) | NPC1HTTRAB9ASMN1; SMN2HRH3 | |
| SCHEMBL11193326 | 0.79 | CYP2A13 (0.75) | CYP2A13CYP2C9ALOX15HSD17B10HTT | |
| SCHEMBL6756721 | 0.78 | KDM4E (0.60) | SMN1; SMN2CYP2D6CYP2C19HRH3KDM4E | |
| SCHEMBL4108619 | 0.78 | CYP2A13 (0.69) | CYP2A13CYP2C9ALOX15HSD17B10HTT |
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-2245027-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-04-25 | — | — | EP | disclosed |