Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.54 |
| ▸ | TUBB | P07437 | 3/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.54 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL909732 | 0.87 | CYP1A1 (0.56) | CYP1A1CYP1A2CYP1B1GLAGAA | |
| SCHEMBL20605619 | 0.78 | GAA (0.62) | CYP1A1CYP1A2CYP1B1GLAGAA | |
| SCHEMBL11665192 | 0.78 | ITK (0.57) | HPGDALDH1A1KDM4ETUBB4ATUBB | |
| SCHEMBL30462937 | 0.78 | HPGD (0.76) | HPGDALDH1A1KDM4ETUBB4ATUBB | |
| SCHEMBL9447439 | 0.78 | TNKS (0.79) | CYP1A1CYP1A2CYP1B1HPGDALDH1A1 | |
| SCHEMBL9974636 | 0.77 | LMNA (0.62) | CYP1A2HPGDALDH1A1KDM4ETUBB4A | |
| SCHEMBL30054313 | 0.77 | GAA (0.77) | CYP1A2GLAGAAHPGDALDH1A1 | |
| SCHEMBL909804 | 0.76 | ADORA2A (0.48) | CYP1A1CYP1A2CYP1B1HPGDALDH1A1 | |
| SCHEMBL9254946 | 0.76 | GLA (0.45) | CYP1A1CYP1A2CYP1B1GLAGAA | |
| SCHEMBL6143821 | 0.75 | KDM4E (0.46) | HPGDALDH1A1KDM4ETUBB4ATUBB |
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-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |