Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772555 | 0.83 | CES2 (0.47) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL7766931 | 0.83 | CES2 (0.47) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL27673772 | 0.82 | CES2 (0.74) | CES2CES1KEAP1ALDH1A1MEN1 | |
| SCHEMBL115334 | 0.80 | CES2 (0.71) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL28742361 | 0.78 | CES2 (0.68) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL29798953 | 0.78 | CES2 (0.68) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL7818617 | 0.72 | CES2 (0.50) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL8545735 | 0.72 | KDM4E (0.56) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL8542675 | 0.72 | KDM4E (0.56) | CES2CES1KEAP1ALDH1A1KDM4E | |
| SCHEMBL29367263 | 0.72 | CES2 (0.59) | CES2CES1KEAP1ALDH1A1KDM4E |
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-0750619-B1 | HETERO-ANNULATED INDAZOLES | NOVUSPHARMA SPA (IT) | 2001-05-30 | — | — | EP | disclosed |
| US-5596097-A | ANTITUMOR AGENTS | THE UNIVERSITY OF VERMONT (US) | 1997-01-21 | — | — | US | disclosed |
| EP-0750619-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995024407-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1995-09-14 | — | — | WO | disclosed |