Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23409046 | 0.90 | MAPT (0.61) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL30070804 | 0.90 | MAPT (0.61) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL4100176 | 0.89 | MAPT (0.64) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL23406169 | 0.88 | ALDH1A1 (0.69) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL8136548 | 0.87 | MAPT (0.61) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL8133226 | 0.86 | MAPT (0.59) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL8134039 | 0.86 | MAPT (0.59) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL8136068 | 0.86 | KDM4E (0.59) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL4092308 | 0.85 | HTT (0.56) | ALDH1A1MAPTHTTNPSR1POLB | |
| SCHEMBL8122356 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTHTTNPSR1RXRA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0663393-B1 | 3-Amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2000-07-05 | — | — | EP | disclosed |
| US-5914406-A | ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMAN-LA ROCHE INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5750706-A | TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5583222-A | ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0663393-A1 | Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1995-07-19 | — | — | EP | disclosed |