Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5852304 | 0.99 | CHRM4 (0.42) | CHRM4NR1H2NR1H3RXRAMEN1 | |
| SCHEMBL3854617 | 0.92 | CHRM4 (0.47) | CHRM4PIK3CAHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL4717123 | 0.91 | CHRM4 (0.46) | CHRM4PIK3CAHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3848213 | 0.87 | GPR119 (0.42) | CHRM4PIK3CAGPR119 | |
| SCHEMBL3853124 | 0.86 | NR1H2 (0.42) | NR1H2NR1H3HTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3852323 | 0.85 | CHRM4 (0.41) | CHRM4PIK3CAHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3855187 | 0.85 | CHRM4 (0.44) | CHRM4PIK3CAHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3851597 | 0.84 | CYP3A4 (0.36) | NR1H2NR1H3RXRAMEN1KMT2A | |
| SCHEMBL3848219 | 0.84 | CHRM4 (0.40) | CHRM4NR1H2NR1H3RXRAMEN1 | |
| Hydrochloric Acid SCHEMBL3849314 | 0.82 | CHRM4 (0.46) | CHRM4PIK3CAGPR119MTORCYP8B1 |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |