Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL685763 | 0.86 | PTGDR2 (0.42) | CREBBPEGFRTSHRPTGDR2XDH | |
| SCHEMBL8138584 | 0.85 | ALDH1A1 (0.52) | CREBBPEGFRTSHRRAB9AKDM4E | |
| SCHEMBL5874111 | 0.84 | CREBBP (0.67) | CREBBPTSHRPTGDR2RAB9AKDM4E | |
| SCHEMBL3480035 | 0.83 | TSHR (0.63) | EGFRTSHRCA12CA1CA2 | |
| SCHEMBL5355741 | 0.83 | CREBBP (0.52) | CREBBPTSHRCA12CA1CA2 | |
| SCHEMBL3480458 | 0.82 | TSHR (0.61) | EGFRTSHRCA12CA1CA2 | |
| SCHEMBL6636593 | 0.82 | CA12 (0.67) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL7008720 | 0.81 | PTPN11 (0.57) | CREBBPTSHRCA9ALDH1A1PTPN11 | |
| SCHEMBL6568030 | 0.81 | TSHR (0.73) | EGFRTSHRCA12CA1CA2 | |
| SCHEMBL3046092 | 0.81 | CA12 (0.71) | EGFRTSHRCA12CA1CA2 |
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 |