Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047660 | 0.91 | ALDH1A1 (0.40) | CYP1A2CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL5887353 | 0.89 | MEN1 (0.35) | ALKBH3ACHEKDM4ENPC1TP53 | |
| SCHEMBL5887288 | 0.88 | ALDH1A3 (0.41) | KDM4EMAOBALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL5887105 | 0.86 | ESR2 (0.35) | MAPTNPC1TP53SMN1; SMN2 | |
| SCHEMBL5887287 | 0.85 | ACHE (0.46) | ALKBH3ACHEKDM4EMAPTNPSR1 | |
| SCHEMBL5887320 | 0.84 | ACHE (0.33) | ALKBH3ACHECYP2C9CYP2C19NPC1 | |
| SCHEMBL5887499 | 0.83 | ALKBH3 (0.41) | ALKBH3ACHEKDM4ECYP1A2CYP3A4 | |
| SCHEMBL5887199 | 0.81 | KMT2A (0.35) | ACHENPC1ALDH1A1TP53HPGD | |
| SCHEMBL5887303 | 0.79 | CASR (0.39) | MAPTMAOBSMN1; SMN2 | |
| SCHEMBL5887347 | 0.78 | MEN1 (0.35) | MAPTTP53MEN1KMT2A |
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 |