Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973556 | 1.00 | CYP2C9 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973553 | 1.00 | CYP2C9 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973567 | 1.00 | CYP2C9 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973560 | 1.00 | CYP2C9 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973382 | 0.97 | GRM2 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973373 | 0.97 | GRM2 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973380 | 0.97 | GRM2 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973376 | 0.97 | GRM2 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973431 | 0.97 | GRM2 (0.33) | CYP2C9KDM1ACHEK1PGRAR | |
| SCHEMBL8973088 | 0.96 | GRM2 (0.35) | CYP2C9KDM1ACHEK1PGRAR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0588291-B1 | 2-Fluorobenzonitrile derivative | CHISSO CORP (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5370822-A | Liquid crystals | CHISSO CORPORATION (JP) | 1994-12-06 | — | — | US | disclosed |
| EP-0588291-A1 | 2-Fluorobenzonitrile derivative | Chisso Corporation (JP) | 1994-03-23 | — | — | EP | disclosed |