Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | ESR1 | P03372 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.63 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | STS | P08842 | 7/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11857928 | 1.00 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11856354 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11866820 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11864648 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11866812 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11856349 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11852584 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11852587 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11864644 | 0.98 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ATSHR | |
| SCHEMBL11864509 | 0.95 | ESR1 (0.70) | ALDH1A1NPC1MAPTRAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-3953498-A | Diesters and diacids of phenanthrene | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1976-04-27 | — | — | US | disclosed |
| US-3948965-A | BIS (TRIORGANO PHOSPHINE) IMINIUM | UNION CARBIDE CORPORATION (US) | 1976-04-06 | — | — | US | disclosed |