Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4774140 | 0.85 | HTT (0.46) | HTTMEN1KMT2AADORA2BADORA1 | |
| SCHEMBL4774467 | 0.80 | ALDH1A1 (0.40) | MAPK14KDM4EMEN1ALDH1A1PKM | |
| SCHEMBL5769313 | 0.77 | ALDH1A1 (0.47) | HTTKDM4ESMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL5768343 | 0.76 | ALDH1A1 (0.38) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL5768878 | 0.75 | EIF4E (0.36) | CYP3A4CYP2C9KDM4EMEN1ALDH1A1 | |
| SCHEMBL5768875 | 0.75 | ALDH1A1 (0.35) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL5769810 | 0.74 | ALDH1A1 (0.40) | HTTKDM4EMEN1ALDH1A1PKM | |
| SCHEMBL4776139 | 0.73 | ALDH1A1 (0.41) | HTTKDM4EMEN1ALDH1A1PKM | |
| SCHEMBL4767126 | 0.73 | HPGD (0.39) | HTTKDM4EMEN1ALDH1A1PKM | |
| SCHEMBL5770531 | 0.73 | KDM4E (0.39) | KDM4EMEN1NPC1ALDH1A1PKM |
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-1881988-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122200-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |