Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL31305641 | 0.75 | ACHE (0.50) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL395710 | 0.75 | CYP3A4 (0.30) | CYP3A4MAPK1TSHR | |
| SCHEMBL393790 | 0.75 | ACHE (0.50) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL2026441 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL29372751 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL2562811 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL28823581 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL18109802 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL70458 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E | |
| Ethane SCHEMBL27864417 | 0.72 | ACHE (0.48) | ACHEMAPTALDH1A1CYP3A4KDM4E |
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-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 |
| CN-113785023-A | Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen | 株式会社百乐 | 2021-12-10 | — | — | CN | disclosed |