Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MLKL | Q8NB16 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304376 | 0.80 | TSHR (0.59) | BCHEPTPN1KMT2AAAK1TSHR | |
| SCHEMBL8330091 | 0.80 | TSHR (0.59) | BCHEPTPN1KMT2AAAK1TSHR | |
| SCHEMBL11901522 | 0.79 | AAK1 (0.47) | BCHEPTPN1KMT2AAAK1MLKL | |
| SCHEMBL5788596 | 0.78 | CNR1 (0.52) | TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL9746641 | 0.76 | AAK1 (0.68) | BCHEPTPN1KMT2AAAK1CYP3A4 | |
| SCHEMBL24143407 | 0.75 | CYP1A2 (0.67) | BCHEPTPN1KMT2AAAK1TSHR | |
| SCHEMBL26304208 | 0.75 | SCN10A (0.52) | BCHEPTPN1AAK1TSHRCYP3A4 | |
| SCHEMBL16532762 | 0.73 | AAK1 (0.50) | AAK1ALDH1A1RAB9A | |
| SCHEMBL4705042 | 0.73 | AAK1 (0.54) | BCHEPTPN1KMT2AAAK1TSHR | |
| SCHEMBL38664210 | 0.73 | AAK1 (0.61) | BCHEPTPN1AAK1TSHRALDH1A1 |
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 |