Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 8/20 | 0.32 |
| ▸ | RXRA | P19793 | 7/20 | 0.32 |
| ▸ | RARA | P10276 | 7/20 | 0.32 |
| ▸ | RARG | P13631 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | RXRB | P28702 | 3/20 | 0.32 |
| ▸ | RXRG | P48443 | 3/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL673147 | 0.79 | CYP1A2 (0.39) | CYP1A2HAO1FFAR3RARBRXRA | |
| SCHEMBL10437018 | 0.77 | CYP1A2 (0.43) | CYP1A2HAO1FFAR3RARBRXRA | |
| SCHEMBL486947 | 0.72 | CYP1A2 (0.37) | CYP1A2HAO1RARB | |
| SCHEMBL7564849 | 0.71 | HDAC4 (0.33) | CYP1A2HAO1RARB | |
| SCHEMBL2135859 | 0.70 | CYP1A2 (0.36) | CYP1A2HAO1ALDH1A1PTGS1DRD3 | |
| SCHEMBL9342959 | 0.68 | CYP1A2 (0.51) | CYP1A2HAO1RARBRXRARARA | |
| SCHEMBL3264588 | 0.65 | CYP2C19 (0.30) | CYP2C19 | |
| Ethane SCHEMBL908993 | 0.65 | AKR1C1 (0.32) | FFAR3ALDH1A1LMNACYP2C19 | |
| SCHEMBL22122574 | 0.64 | EED (0.40) | CYP1A2HAO1MAPTCYP3A4HIF1A | |
| SCHEMBL1817186 | 0.64 | CCR2 (0.37) | FFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0049823-A1 | Thermoplastic copolyester elastomer | CELANESE ENGINEERING RESINS, INC. (US) | 1982-04-21 | — | — | EP | claimed |
| CN-115703707-A | Method for preparing cyclohexane diformate and cyclohexanedimethanol | 中国科学院大连化学物理研究所 | 2023-02-17 | — | — | CN | disclosed |