Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203379 | 0.84 | CYP19A1 (0.38) | CYP19A1CYP2A6CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7236179 | 0.82 | CYP19A1 (0.37) | CYP19A1CYP2A6CA2CA9ALDH1A1 | |
| SCHEMBL28689290 | 0.74 | PYCR1 (0.39) | CYP2A6 | |
| SCHEMBL28678690 | 0.74 | IDO1 (0.41) | ALDH1A1 | |
| SCHEMBL28704077 | 0.74 | IDO1 (0.40) | CYP19A1CYP2A6ALDH1A1TSHRCYP3A4 | |
| SCHEMBL77245 | 0.73 | DPP4 (0.36) | TSHRCYP3A4CYP2C19 | |
| SCHEMBL7365256 | 0.72 | CA2 (0.44) | CYP19A1CYP2A6CA2CA9ALDH1A1 | |
| SCHEMBL28684586 | 0.69 | PDE2A (0.41) | ALDH1A1TSHR | |
| SCHEMBL4078028 | 0.69 | CYP19A1 (0.68) | CYP19A1CYP2A6CA2CA9ALDH1A1 | |
| SCHEMBL45942 | 0.68 | CA2 (0.69) | CYP2A6CA2CA9ALDH1A1CA12 |
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-109336829-B | Aryl formamide compound containing 1,2, 3-triazole structure and application thereof | 沈阳药科大学 | 2022-03-01 | — | — | CN | disclosed |