Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 11/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5223627 | 0.79 | GPR55 (0.42) | NSD3GPR55BRD4CREBBPLMNA | |
| SCHEMBL5228026 | 0.79 | HTR1A (0.42) | NSD3GPR55BRD4CREBBPCYP1A2 | |
| SCHEMBL5224159 | 0.79 | GPR55 (0.43) | NSD3GPR55BRD4CREBBPUSP2 | |
| SCHEMBL5225734 | 0.76 | GPR55 (0.39) | NSD3GPR55BRD4CREBBP | |
| SCHEMBL16404607 | 0.68 | BRD4 (0.66) | GPR55BRD4PTGS2USP2LMNA | |
| SCHEMBL2001308 | 0.67 | CYP17A1 (0.36) | MEN1ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL5553073 | 0.65 | BRD4 (0.53) | GPR55BRD4CREBBPLMNACYP1A2 | |
| SCHEMBL20148798 | 0.61 | MAPK14 (0.50) | LMNAKMT2A | |
| SCHEMBL1998048 | 0.60 | MAPT (0.36) | USP2LMNAMEN1ALDH1A1KMT2A | |
| SCHEMBL5228222 | 0.60 | HRH3 (0.39) | CYP2C19CYP2D6 |
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 |