Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29559880 | 0.86 | ALDH1A1 (0.50) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL12326835 | 0.86 | ALDH1A1 (0.50) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL1571262 | 0.83 | AKR1C3 (0.54) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL3885239 | 0.82 | AKR1C3 (0.51) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL8842593 | 0.81 | HPGD (0.51) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL147187 | 0.81 | AKR1C3 (0.63) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL1632528 | 0.81 | ALDH1A1 (0.57) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL22749356 | 0.80 | AKR1C3 (0.52) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11773334 | 0.79 | AKR1C3 (0.61) | KDM4EAKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL1567614 | 0.79 | NPC1 (0.53) | KDM4EAKR1C3AKR1C2RAB9ANPC1 |
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-5688803-A | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |