Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12120351 | 0.91 | ALDH1A1 (0.64) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL22076979 | 0.89 | ALDH1A1 (0.84) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL664734 | 0.89 | ALDH1A1 (0.84) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4795566 | 0.87 | ALDH1A1 (0.87) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL8226104 | 0.85 | ALDH1A1 (0.97) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL3686059 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL9417582 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL31336897 | 0.82 | KDM4E (0.50) | ALDH1A1KDM4EPKMPIM1KDM1A | |
| SCHEMBL22570306 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL6687651 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 |
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-1937652-A1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007041634-A1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-04-12 | — | — | WO | disclosed |
| CN-1476445-A | 4- (biphenylcarbonylamino) piperidine derivatives as MTP inhibitors | Ĭ��ר������˾ | 2004-02-18 | — | — | CN | disclosed |