Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | ACACB | O00763 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855368 | 0.97 | ACACB (0.51) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9855341 | 0.91 | ACACB (0.44) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9854857 | 0.90 | NR5A1 (0.45) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9855378 | 0.90 | ACACB (0.49) | ACACBLTA4HKDM4EALDH1A1HPGD | |
| SCHEMBL9855090 | 0.89 | ACACB (0.46) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9855280 | 0.88 | ACACB (0.44) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9855048 | 0.88 | ACACB (0.46) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9854938 | 0.88 | ACACB (0.46) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL9497308 | 0.87 | KDM4E (0.51) | NR5A1ACACBLTA4HKDM4EALDH1A1 | |
| SCHEMBL10511071 | 0.87 | ACACB (0.43) | NR5A1ACACBLTA4HKDM4EALDH1A1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |