Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.55 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | RXRB | P28702 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL155030 | 1.00 | CA1 (0.61) | CA1CA2NPC1POLBRAB9A | |
| SCHEMBL18319953 | 0.94 | CA1 (0.55) | CA1CA2NPC1POLBRAB9A | |
| SCHEMBL450829 | 0.87 | PKM (0.67) | CA1CA2NPC1POLBRAB9A | |
| SCHEMBL3798190 | 0.86 | CES2 (0.59) | NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL9549256 | 0.86 | KMT2A (0.53) | RAB9ASMN1; SMN2MAPK1HTT | |
| SCHEMBL1503531 | 0.85 | PKM (0.56) | CA1CA2NPC1POLBRAB9A | |
| SCHEMBL657699 | 0.84 | L3MBTL1 (0.66) | POLBRAB9ASMN1; SMN2HTT | |
| SCHEMBL5390728 | 0.84 | KDM4E (0.67) | CA1CA2TSHRTP53HSD17B10 | |
| SCHEMBL7661858 | 0.83 | GAA (0.62) | NPC1RAB9ASMN1; SMN2MAPK1HTT | |
| SCHEMBL2778728 | 0.82 | MAPT (0.47) | NPC1POLBRAB9ASMN1; SMN2 |
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 |