Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | P4HB | P07237 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200512 | 1.00 | CYP1A2 (0.47) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL2200950 | 0.81 | CYP1A2 (0.48) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL30149174 | 0.77 | GABRA1 (0.44) | CYP1A2MAPTKDM4EALDH1A1TP53 | |
| SCHEMBL2313593 | 0.77 | GABRA1 (0.44) | CYP1A2MAPTKDM4EALDH1A1TP53 | |
| SCHEMBL30375446 | 0.77 | MAPT (0.49) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL278351 | 0.77 | MAPT (0.49) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL2200629 | 0.76 | MAPT (0.47) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL29908290 | 0.76 | MAPT (0.47) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL7448667 | 0.74 | MAPT (0.57) | CYP1A2MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL3863574 | 0.74 | GAA (0.48) | CYP1A2MAPTALDH1A1ALOX15ALOX12 |
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-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 |