Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6034 | 0.92 | — | — | |
| SCHEMBL17231886 | 0.92 | CYP2A6 (0.52) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Hydrochloric Acid SCHEMBL11785011 | 0.89 | CYP2A6 (0.50) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL6557011 | 0.89 | CYP2A6 (0.50) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Fluoride SCHEMBL28906348 | 0.89 | CYP2A6 (0.50) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Benzene SCHEMBL28625494 | 0.86 | ALDH1A1 (0.60) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| Ethylene SCHEMBL5407508 | 0.86 | CYP2A6 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL21457099 | 0.84 | ALDH1A1 (0.50) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL10070036 | 0.84 | ALDH1A1 (0.50) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 | |
| SCHEMBL258580 | 0.84 | ALDH1A1 (0.48) | CYP2A6ALDH1A1TYRCYP2A13HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034476-A1 | POROUS ORGANIC CAGE LIGAND CONTAINING P AND N AND COMPLEX CATALYST AND APPLICATION | 中国科学院大连化学物理研究所 | 2020-02-20 | — | — | WO | disclosed |
| WO-2020034477-A1 | POROUS ORGANIC CAGE LIGAND CONTAINING P AND N, PREPARATION THEREFOR AND USE THEREOF | 中国科学院大连化学物理研究所 | 2020-02-20 | — | — | WO | disclosed |