Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 9/20 | 0.41 |
| ▸ | PRKCB | P05771 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 4/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127976 | 0.82 | GSK3B (0.56) | GSK3BPRKCBPRKCAKDM4EPRKCG | |
| SCHEMBL3774109 | 0.74 | GSK3B (0.66) | GSK3BPRKCBPRKCAQPCTPRKCG | |
| SCHEMBL6099982 | 0.72 | PDE4B (0.51) | GSK3BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6344338 | 0.71 | GSK3B (0.41) | GSK3BPRKCBPRKCAKDM4EQPCT | |
| SCHEMBL6100637 | 0.70 | HTR6 (0.54) | HTR6 | |
| SCHEMBL3600677 | 0.70 | KDM4E (0.46) | GSK3BPRKCBPRKCAKDM4EALDH1A1 | |
| SCHEMBL6097457 | 0.67 | HTR6 (0.45) | HTR6 | |
| SCHEMBL11002312 | 0.67 | LTB4R (0.43) | KDM4EALDH1A1HTR6CYP3A4MTNR1A | |
| SCHEMBL1127716 | 0.67 | GSK3B (0.64) | GSK3BPRKCBPRKCAQPCTKDR | |
| SCHEMBL10998511 | 0.67 | PLA2G4A (0.56) | HTR6MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| US-6849643-B2 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-02-01 | — | — | US | disclosed |