Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.38 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.38 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.38 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31511037 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL278798 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL3788801 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL9132402 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL9620 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL63058 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL43501 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL19966741 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL2776692 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL17089023 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CA1CA2 |
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-109942560-B | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-06-17 | — | — | CN | disclosed |