Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | STS | P08842 | 4/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31634638 | 1.00 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL5077390 | 1.00 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL503416 | 0.99 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8466946 | 0.94 | ALDH1A1 (0.60) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL31634617 | 0.94 | ALDH1A1 (0.60) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL2404539 | 0.93 | TDP1 (0.50) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL2408748 | 0.93 | TDP1 (0.50) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8967578 | 0.93 | TDP1 (0.50) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL2406816 | 0.93 | TDP1 (0.50) | ALDH1A1NPC1MAPTRAB9AMEN1 | |
| SCHEMBL2405894 | 0.93 | TDP1 (0.50) | ALDH1A1NPC1MAPTRAB9AMEN1 |
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-0467549-A2 | Inorganic solid and polymer composition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-22 | — | — | EP | disclosed |