Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | STAT3 | P40763 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL347958 | 0.96 | CHKA (0.62) | CHKAHDAC6LMNAMAPK1RAB9A | |
| SCHEMBL28061494 | 0.87 | HDAC6 (0.71) | CHKAHDAC6LMNAKCNH2CA2 | |
| SCHEMBL345054 | 0.86 | TSHR (0.60) | LMNAMAPK1RAB9ATSHRMAPT | |
| SCHEMBL4630492 | 0.85 | SMN1; SMN2 (0.74) | LMNAMAPK1RAB9ATSHRMAPT | |
| SCHEMBL1979654 | 0.85 | CHKA (0.60) | CHKAHDAC6LMNAMAPK1RAB9A | |
| SCHEMBL10397560 | 0.84 | RAB9A (0.62) | CHKAHDAC6LMNAMAPK1RAB9A | |
| SCHEMBL6650843 | 0.83 | CHKA (0.61) | CHKAHDAC6LMNAMAPK1RAB9A | |
| SCHEMBL7499633 | 0.83 | RAB9A (0.60) | HDAC6LMNAMAPK1RAB9ATSHR | |
| SCHEMBL4367804 | 0.81 | CHKA (0.82) | CHKAHDAC6LMNAMAPK1MAPT | |
| SCHEMBL64588 | 0.81 | CHKA (0.82) | CHKAHDAC6LMNAMAPK1MAPT |
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-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |