Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.50 |
| ▸ | GALR3 | O60755 | 2/20 | 0.50 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23204279 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4ETSHRLMNA | |
| SCHEMBL23162580 | 0.86 | TAAR1 (0.56) | ALDH1A1HPGDKDM4ELMNAHTT | |
| SCHEMBL23162568 | 0.83 | LMNA (0.52) | ALDH1A1HPGDKDM4ETSHRLMNA | |
| SCHEMBL29623213 | 0.83 | LMNA (0.52) | ALDH1A1HPGDKDM4ETSHRLMNA | |
| SCHEMBL4269335 | 0.78 | EGFR (0.52) | ALDH1A1HPGDKDM4ESMN1; SMN2EGFR | |
| SCHEMBL8243683 | 0.78 | PGK1 (0.41) | ALDH1A1HPGDKDM4EGALR3HSD17B10 | |
| SCHEMBL11110157 | 0.77 | EGFR (0.57) | ALDH1A1TSHRLMNAHTTSMN1; SMN2 | |
| SCHEMBL30983851 | 0.77 | KDM4C (0.72) | ALDH1A1HPGDKDM4ETSHRLMNA | |
| SCHEMBL783719 | 0.77 | KDM4C (0.72) | ALDH1A1HPGDKDM4ETSHRLMNA | |
| SCHEMBL4032806 | 0.77 | EGFR (0.54) | ALDH1A1HPGDTSHRLMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114450277-A | Substituted pyrimidines for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2022-05-06 | — | — | CN | disclosed |