Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL933995 | 0.92 | CHRM4 (0.37) | HRH3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL5331154 | 0.68 | HTR2A (0.33) | SMN1; SMN2MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL933509 | 0.65 | ADRA2C (0.32) | KDM4EKMT2A | |
| SCHEMBL27460428 | 0.64 | HRH3 (0.39) | HRH3SMN1; SMN2LRRK2CHRM2CHRM1 | |
| SCHEMBL188648 | 0.61 | HRH3 (0.63) | HRH3SMN1; SMN2CHRM2CHRM1HTR1A | |
| SCHEMBL1515384 | 0.60 | CHRNB2 (0.45) | CHRM2CHRM1CHRM4CHRM5CHRM3 | |
| SCHEMBL995078 | 0.60 | HRH3 (0.45) | HRH3SMN1; SMN2LRRK2CHRM2CHRM1 | |
| SCHEMBL14577976 | 0.60 | HRH3 (0.67) | HRH3SMN1; SMN2MAOAMAOBSCN1A | |
| SCHEMBL3436987 | 0.60 | SMN1; SMN2 (0.71) | HRH3SMN1; SMN2CHRM2CHRM1HTR1A | |
| SCHEMBL14892073 | 0.59 | HRH3 (0.47) | HRH3SMN1; SMN2LRRK2CHRM4MAOA |
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-2451802-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | Pathway Therapeutics, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005119-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2011-01-13 | — | — | WO | disclosed |