Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5709982 | 1.00 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL29633665 | 0.89 | NPC1 (0.68) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL2488667 | 0.89 | NPC1 (0.68) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL5710003 | 0.84 | TUBB4A (0.59) | CYP1A2CYP2C19ALDH1A1MAPTGAA | |
| SCHEMBL30375359 | 0.84 | TUBB4A (0.59) | CYP1A2CYP2C19ALDH1A1MAPTGAA | |
| SCHEMBL5346443 | 0.82 | MEN1 (0.73) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL30084735 | 0.81 | ALDH1A1 (0.52) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL2485617 | 0.81 | ALDH1A1 (0.52) | CYP3A4CYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL30374771 | 0.81 | HPGD (0.71) | CYP3A4CYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL93177 | 0.81 | HPGD (0.71) | CYP3A4CYP1A2CYP2C19ALDH1A1MAPT |
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-113646052-B | Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument | 百乐墨水株式会社 | 2024-05-17 | — | — | CN | disclosed |
| CN-113785023-B | Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same | 株式会社百乐 | 2023-05-12 | — | — | CN | disclosed |