Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458778 | 0.94 | ESR1 (0.51) | ALDH1A1STSESR1TSHRLMNA | |
| SCHEMBL16632600 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL4853372 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL16632439 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL9458309 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL9458337 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL9458677 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL9458671 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL30316540 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1MAPTRAB9ASTS | |
| SCHEMBL13607645 | 0.84 | ALDH1A1 (0.72) | ALDH1A1NPC1MAPTRAB9ASTS |
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-5230828-A | NAPHTHALENEDICARBOXYLIC ACID ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |