Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14484671 | 0.83 | PDE10A (0.34) | CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL629032 | 0.78 | HCAR2 (0.44) | CYP3A4HSD17B10ALDH1A1CYP2C19ALOX15 | |
| SCHEMBL30978924 | 0.78 | HCAR2 (0.44) | CYP3A4HSD17B10ALDH1A1CYP2C19ALOX15 | |
| SCHEMBL18930374 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL18930376 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL23925748 | 0.75 | ADORA3 (0.36) | ALDH1A1TSHRSMN1; SMN2NTRK1 | |
| SCHEMBL9956039 | 0.75 | NTRK1 (0.33) | NTRK1 | |
| SCHEMBL630362 | 0.74 | NPSR1 (0.43) | CYP1A2ALDH1A1CYP2C19KDM4ETSHR | |
| SCHEMBL15228341 | 0.74 | NTRK1 (0.43) | PDE10ANTRK1USP2 | |
| SCHEMBL29574660 | 0.74 | NPSR1 (0.43) | CYP1A2ALDH1A1CYP2C19KDM4ETSHR |
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-2017093544-A1 | ALKYNYL PHOSPHINE GOLD COMPLEXES FOR TREATING BACTERIAL INFECTIONS | AUSPHERIX LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |