Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8129235 | 1.00 | ALDH1A1 (0.53) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL8127668 | 0.83 | HPGD (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2CYP1A2 | |
| SCHEMBL8127661 | 0.83 | HPGD (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2CYP1A2 | |
| SCHEMBL147187 | 0.82 | AKR1C3 (0.63) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11773334 | 0.81 | AKR1C3 (0.61) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL1571262 | 0.81 | AKR1C3 (0.54) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL3885239 | 0.80 | AKR1C3 (0.51) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL8137423 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL8137417 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL1632528 | 0.79 | ALDH1A1 (0.57) | ALDH1A1AKR1C3AKR1C2RAB9ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760819-B1 | TRICYCLIC DICARBONYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2000-07-19 | — | — | EP | disclosed |
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | disclosed |