Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17672698 | 0.91 | CA12 (0.50) | CA12CA2CA3CA6CA9 | |
| SCHEMBL17672970 | 0.91 | CA12 (0.50) | CA12CA2CA3CA6CA9 | |
| SCHEMBL17672587 | 0.89 | MRGPRX4 (0.42) | CA12CA2CA3CA6CA9 | |
| SCHEMBL17672545 | 0.89 | MRGPRX4 (0.42) | CA12CA2CA3CA6CA9 | |
| SCHEMBL17672810 | 0.86 | AR (0.49) | CA12CA2CA3CA6CA9 | |
| SCHEMBL17672734 | 0.85 | MAOB (0.40) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL6894396 | 0.84 | CA9 (0.59) | CA12CA2CA3CA6CA9 | |
| SCHEMBL176946 | 0.81 | TRPV4 (0.57) | ARESR1ESR2TRPV4CYP11B1 | |
| SCHEMBL16182684 | 0.79 | APP (0.47) | CA12CA2CA3CA6CA9 | |
| SCHEMBL31122790 | 0.79 | TRPV4 (0.55) | ARESR1ESR2TRPV4CYP11B1 |
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-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |