Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 11/20 | 0.38 |
| ▸ | BRD2 | P25440 | 2/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224159 | 0.90 | GPR55 (0.43) | NSD3GPR55BRD4BRD2CREBBP | |
| SCHEMBL5223627 | 0.89 | GPR55 (0.42) | NSD3GPR55BRD4CREBBPCYP1A2 | |
| SCHEMBL5225734 | 0.85 | GPR55 (0.39) | NSD3GPR55BRD4BRD2BRD3 | |
| SCHEMBL5225128 | 0.79 | NSD3 (0.45) | NSD3GPR55BRD4CREBBPCYP1A2 | |
| SCHEMBL5228222 | 0.73 | HRH3 (0.39) | HTR1AHTR7HTR2BHTR6P4HB | |
| SCHEMBL1997982 | 0.70 | ACHE (0.43) | HTR1AHTR2BP4HB | |
| SCHEMBL2761010 | 0.69 | MAPT (0.41) | HTR1AHTR7HTR2BHTR6P4HB | |
| SCHEMBL2761138 | 0.69 | LMNA (0.40) | HTR1AHTR7HTR2BHTR6P4HB | |
| SCHEMBL2004264 | 0.69 | HTR1A (0.41) | HTR1AHTR7HTR2BHTR6P4HB | |
| SCHEMBL1998316 | 0.68 | HRH3 (0.45) | HTR1AHTR2BP4HBCYP1A2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |