Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | SQOR | Q9Y6N5 | 7/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7830291 | 0.83 | POLB (0.59) | ALDH1A1KDM4ESQORRECQLPOLB | |
| SCHEMBL9029678 | 0.82 | KDM4E (0.53) | ALDH1A1KDM4ESQORRECQLPOLB | |
| SCHEMBL3970610 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL8129316 | 0.80 | KDM4E (0.56) | KDM4ESQORRECQLPOLBMAPT | |
| SCHEMBL6253855 | 0.78 | KDM4E (0.56) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL2639136 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4ESQORMAPTCYP1A2 | |
| SCHEMBL4744765 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL30315435 | 0.78 | KDM4E (0.56) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL7915032 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTCYP1A2GAA | |
| SCHEMBL27552138 | 0.77 | POLB (0.60) | ALDH1A1KDM4ESQORPOLBADORA3 |
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 4 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 |
| US-5688803-A | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | 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 |