Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NMT2 | O60551 | 1/20 | 0.46 |
| ▸ | NMT1 | P30419 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706280 | 0.85 | CYP2A6 (0.52) | CYP2A6ALDH1A1MAPK10NMT2NMT1 | |
| Dimethylamine SCHEMBL4816250 | 0.85 | CYP2A6 (0.52) | CYP2A6ALDH1A1MAPK10KMT2ANMT2 | |
| Hydrochloric Acid SCHEMBL7701263 | 0.84 | CYP2A6 (0.51) | CYP2A6ALDH1A1MAPK10NMT2NMT1 | |
| SCHEMBL7709279 | 0.78 | KMT2A (0.72) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8119758 | 0.78 | KMT2A (0.49) | CYP2A6ALDH1A1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL15357291 | 0.76 | CYP2A6 (0.50) | CYP2A6ALDH1A1KMT2ANMT2NMT1 | |
| SCHEMBL27252710 | 0.75 | NMT2 (0.57) | ALDH1A1KMT2ANMT2NMT1MRGPRX4 | |
| SCHEMBL5584443 | 0.74 | LMNA (0.48) | CYP2A6ALDH1A1NMT2NMT1TSHR | |
| SCHEMBL15349649 | 0.74 | F2RL3 (0.46) | CYP2A6ALDH1A1KMT2ANMT2NMT1 | |
| SCHEMBL4105762 | 0.74 | NMT2 (0.54) | CYP2A6ALDH1A1NMT2NMT1TSHR |
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-0906301-B1 | BENZOFURYL DERIVATIVES AND THEIR USE | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5955495-A | BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S | HOFFMANN-LA ROCHE INC. (US) | 1999-09-21 | — | — | US | disclosed |
| EP-0906301-A1 | BENZOFURYL DERIVATIVES AND THEIR USE | F. HOFFMANN-LA ROCHE AG (CH) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997042183-A1 | BENZOFURYL DERIVATIVES AND THEIR USE | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-13 | — | — | WO | disclosed |