Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5777260 | 0.93 | TP53 (0.46) | TP53CRHR1ALDH1A1L3MBTL1CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5044836 | 0.77 | CRHR1 (0.36) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5048824 | 0.76 | CRHR1 (0.40) | CRHR1ALDH1A1L3MBTL1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5508503 | 0.76 | CRHR1 (0.35) | CRHR1ESR1 | |
| SCHEMBL5776271 | 0.74 | CRHR1 (0.44) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5514719 | 0.74 | CRHR1 (0.35) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5519893 | 0.74 | CRHR1 (0.36) | CRHR1ALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL5047507 | 0.74 | CRHR1 (0.38) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5517788 | 0.73 | CRHR1 (0.36) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL5518399 | 0.73 | CRHR1 (0.34) | CRHR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| US-7268146-B2 | Ring fused pyrazole derivatives as CRF antagonists | PALO ALTO LLC (US) | 2007-09-11 | — | — | US | disclosed |
| US-7053103-B2 | Ring fused pyrazole derivatives as CRF antagonists | SYNTEX (U.S.A.) LLC (US) | 2006-05-30 | — | — | US | disclosed |