Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630975 | 0.85 | PARP10 (0.55) | ALDH1A1MEN1KMT2ACYP3A4USP2 | |
| SCHEMBL4630330 | 0.81 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL6606547 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL27405147 | 0.74 | NOTUM (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL16621272 | 0.72 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL27409032 | 0.71 | PRMT6 (0.46) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL4347686 | 0.70 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL11510734 | 0.69 | SLC6A2 (0.52) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL22465998 | 0.69 | MAPT (0.50) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL29366093 | 0.68 | ALDH1A1 (0.83) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT |
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 |