Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11679637 | 1.00 | CA1 (0.41) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL36848 | 1.00 | CA1 (0.41) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL11638037 | 1.00 | CA1 (0.41) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL15157468 | 0.96 | CA1 (0.39) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL10800200 | 0.96 | CA1 (0.36) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL28565165 | 0.87 | CA1 (0.30) | CA1CA2CA12CA9 | |
| Bicarbonate SCHEMBL6566447 | 0.84 | EPHX1 (0.43) | CA1CA2CA12CA9NPC1 | |
| Bicarbonate SCHEMBL28775658 | 0.84 | EPHX1 (0.43) | CA1CA2CA12CA9NPC1 | |
| Bicarbonate SCHEMBL366336 | 0.84 | EPHX1 (0.43) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL28970866 | 0.82 | CA1 (0.36) | CA1CA2CA12CA9NPC1 |
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-112973788-A | Process for catalytic selective oxidation of hydrocarbons | 中国科学院大连化学物理研究所 | 2021-06-18 | — | — | CN | disclosed |