Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9810631 | 1.00 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810628 | 1.00 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810277 | 1.00 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810620 | 0.99 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810612 | 0.99 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810396 | 0.97 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810543 | 0.97 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810398 | 0.97 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810548 | 0.97 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9810289 | 0.96 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMAPK1 |
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-5068389-A | TERTIARY ALCOHOLS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |