Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 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 | |
|---|---|---|---|---|
| SCHEMBL23025048 | 0.78 | CYP2A6 (0.60) | CYP2A6CNR1BACE1HSD17B1HSD17B2 | |
| SCHEMBL16672417 | 0.72 | CYP2A6 (0.52) | CYP2A6CNR1BACE1HSD17B1HSD17B2 | |
| SCHEMBL6340147 | 0.71 | HSD17B1 (0.47) | CYP2A6CNR1BACE1HSD17B1HSD17B2 | |
| SCHEMBL6407116 | 0.71 | MAPT (0.35) | CYP2A6BACE1SLC6A2SLC6A4MAP4K4 | |
| SCHEMBL25681064 | 0.70 | CYP2A6 (0.50) | CYP2A6CNR1BACE1HSD17B1HSD17B2 | |
| SCHEMBL19917084 | 0.69 | BACE1 (0.51) | CYP2A6CNR1BACE1HSD17B1HSD17B2 | |
| SCHEMBL20602130 | 0.69 | TP53 (0.50) | CYP2A6BACE1HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL30340636 | 0.69 | TP53 (0.50) | CYP2A6BACE1HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL24361492 | 0.68 | TP53 (0.49) | CYP2A6BACE1HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL24153392 | 0.68 | BACE1 (0.50) | CYP2A6CNR1BACE1HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |