Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL29446069 | 1.00 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL4282024 | 0.80 | TSHR (0.45) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL9301864 | 0.77 | CYP3A4 (0.48) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL487319 | 0.77 | CYP3A4 (0.48) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL143288 | 0.76 | CYP3A4 (0.52) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL13591681 | 0.74 | CYP3A4 (0.50) | CYP3A4CASP1RECQLALDH1A1TSHR | |
| SCHEMBL776863 | 0.73 | GPR3 (0.39) | CYP3A4ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL5527174 | 0.73 | GPR3 (0.39) | CYP3A4ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL27622964 | 0.73 | GPR3 (0.39) | CYP3A4ALDH1A1TSHRMAPK1MEN1 | |
| SCHEMBL16139507 | 0.73 | TSHR (0.42) | ALDH1A1TSHRMAPK1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021026098-A1 | KIF18A INHIBITORS | AMGEN INC. (US) | 2021-02-11 | — | — | WO | disclosed |