Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ILK | Q13418 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096075 | 0.94 | MEN1 (0.39) | SIGMAR1ROCK2MAOAMAOBPIM1 | |
| SCHEMBL7094333 | 0.87 | ROCK2 (0.39) | ROCK2PIM1PIM2ROCK1RAD52 | |
| SCHEMBL7094936 | 0.84 | TMEM97 (0.38) | SIGMAR1RAD52KMT2AILKKDM4E | |
| SCHEMBL7889978 | 0.83 | CHEK1 (0.36) | SIGMAR1RAD52KMT2AKDM4EALDH1A1 | |
| SCHEMBL7096228 | 0.83 | DNM2 (0.36) | SIGMAR1MAOARAD52KMT2AKDM4E | |
| SCHEMBL7890027 | 0.80 | HDAC1 (0.37) | ROCK2PIM1PIM2CYP2D6CHRM1 | |
| SCHEMBL7095837 | 0.76 | MEN1 (0.51) | HTR6HTR7HTR2AROCK1KMT2A | |
| SCHEMBL7000848 | 0.75 | ALDH1A1 (0.49) | ROCK1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7093132 | 0.74 | HTR6 (0.37) | HTR6HRH1ROCK1RAD52 | |
| SCHEMBL7094698 | 0.73 | PDPK1 (0.43) | KMT2AKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |