Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6047641 | 0.81 | ALKBH3 (0.34) | CYP2C9CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL6047634 | 0.79 | CYP1A1 (0.40) | CYP2C9BACE1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6047650 | 0.78 | CYP24A1 (0.40) | CYP2C9KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6047612 | 0.78 | MAOB (0.40) | L3MBTL1CYP2C9BACE1KDM4ECYP1A2 | |
| SCHEMBL6047628 | 0.77 | ABL1 (0.47) | BACE1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL6047630 | 0.77 | CYP3A4 (0.39) | CYP2C9CYP1A2CYP2D6CYP2C19GALR1 | |
| SCHEMBL6047610 | 0.74 | NPC1 (0.35) | CYP2C9KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6047654 | 0.74 | NUDT1 (0.42) | CHRM5CYP2C9KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6047656 | 0.71 | HCRTR1 (0.36) | L3MBTL1CHRM5FFAR4NPC1RAB9A | |
| SCHEMBL24061487 | 0.70 | KMT2A (0.49) | SCN5ACYP2C9BACE1KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |