Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11653467 | 0.86 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13240564 | 0.86 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9355708 | 0.84 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11652778 | 0.78 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27777905 | 0.72 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL481491 | 0.72 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL29350371 | 0.72 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL595279 | 0.71 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2153848 | 0.71 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1802326 | 0.71 | CA12 (0.62) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110330526-B | Green synthesis method of thiophosphite | 成都理工大学 | 2021-11-26 | — | — | CN | disclosed |
| US-4985567-A | Ligand for a Metal Complex Catalyst | KAZUO ACHIWA (JP) | 1991-01-15 | — | — | US | disclosed |
| EP-0336123-A2 | New chiral phosphinopyrrolidine compounds and their use for asymmetric synthesis of optically active compounds | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1989-10-11 | — | — | EP | disclosed |