Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887285 | 0.91 | ALKBH3 (0.44) | ALDH1A1MAPTNPSR1NPC1TP53 | |
| SCHEMBL6047606 | 0.84 | NR1I3 (0.39) | MAPTNPC1TP53NFKB1RAB9A | |
| SCHEMBL5887303 | 0.84 | CASR (0.39) | MAPTSMN1; SMN2ALOX5HTR1AGSK3B | |
| SCHEMBL5887353 | 0.79 | MEN1 (0.35) | NPC1TP53RAB9ASMN1; SMN2CLK4 | |
| SCHEMBL5887155 | 0.78 | NOTUM (0.36) | MAPTNPC1SMN1; SMN2ALOX5NR1I3 | |
| SCHEMBL5887199 | 0.76 | KMT2A (0.35) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL5887105 | 0.76 | ESR2 (0.35) | MAPTNPC1TP53SMN1; SMN2ALOX5 | |
| SCHEMBL5887499 | 0.73 | ALKBH3 (0.41) | ALDH1A1MAPTNPSR1NPC1TP53 | |
| SCHEMBL5887320 | 0.72 | ACHE (0.33) | NPC1RAB9AALOX5CYP2C9CYP2D6 | |
| SCHEMBL5887750 | 0.72 | MAPK10 (0.38) | MAPTNR1I3HTR1ACYP2A6GSK3B |
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 |