Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 4/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 3/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6473759 | 0.80 | ABL1 (0.62) | MAPTCDK1S1PR1P2RY14QPCT | |
| SCHEMBL27116851 | 0.72 | CDK1 (0.53) | MAPTCDK1CLK4CDK4MAPK3 | |
| SCHEMBL1265563 | 0.70 | MAPT (0.57) | MAPTCDK1S1PR1P2RY14QPCT | |
| SCHEMBL29745271 | 0.70 | MAPT (0.57) | MAPTCDK1S1PR1P2RY14QPCT | |
| SCHEMBL27111699 | 0.70 | CLK1 (0.62) | CDK1CLK4CDK4 | |
| SCHEMBL6317977 | 0.70 | IGF1R (0.57) | MAPTCDK1P2RY14QPCTIGF1R | |
| SCHEMBL30847393 | 0.69 | QPCT (0.43) | CDK1S1PR1QPCTCLK4ALDH1A1 | |
| SCHEMBL27112636 | 0.69 | QPCT (0.43) | CDK1S1PR1QPCTCLK4ALDH1A1 | |
| SCHEMBL25591687 | 0.69 | MAPT (0.62) | MAPTCDK1P2RY14MEN1KMT2A | |
| SCHEMBL23228004 | 0.68 | S1PR1 (0.57) | MAPTS1PR1QPCTALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685124-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005047279-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |