Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL15867225 | 0.85 | CYP3A4 (0.49) | LIG1TSHRKMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL3434403 | 0.83 | LIG1 (0.55) | LIG1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL28948151 | 0.82 | KMT2A (0.41) | KMT2AMRGPRX4CES2CES1TDP1 | |
| SCHEMBL15109969 | 0.81 | TSHR (0.52) | LIG1TSHRGAAKMT2AL3MBTL1 | |
| SCHEMBL3316593 | 0.81 | LIG1 (0.47) | LIG1TSHRGAAKMT2AL3MBTL1 | |
| SCHEMBL27051424 | 0.81 | RXRA (0.44) | LIG1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL3314446 | 0.80 | LIG1 (0.46) | LIG1TSHRGAAKMT2AL3MBTL1 | |
| SCHEMBL5007630 | 0.79 | L3MBTL1 (0.50) | GAAKMT2AL3MBTL1ALDH1A1MRGPRX4 | |
| SCHEMBL11519101 | 0.77 | LIG1 (0.51) | LIG1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL5460266 | 0.76 | HTR2C (0.46) | LIG1TSHRL3MBTL1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-116456985-A | Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof | 深圳市原力生命科学有限公司 | 2023-07-18 | — | — | CN | disclosed |
| WO-2022063140-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME | SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) | 2022-03-31 | — | — | WO | disclosed |