Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 8/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10431871 | 0.84 | HIF1A (0.49) | HIF1AMGAMGAASIPTPN1 | |
| SCHEMBL15947259 | 0.78 | MAPT (0.47) | GAACA12CA9ALOX5RAB9A | |
| SCHEMBL14898177 | 0.77 | CA12 (0.45) | GAACA12CA9ALOX5RAB9A | |
| SCHEMBL16742142 | 0.76 | COXFA4 (0.53) | MGAMGAASIMGAM2CA12 | |
| SCHEMBL29653952 | 0.75 | TDP1 (0.70) | GAACA12CA9ALOX5RAB9A | |
| SCHEMBL16742309 | 0.75 | TDP1 (0.70) | GAACA12CA9ALOX5RAB9A | |
| Filifolinol SCHEMBL30471439 | 0.74 | CETP (0.37) | HIF1ACA12CA9ALOX5RAB9A | |
| SCHEMBL20195015 | 0.74 | ALOX5 (0.45) | GAACA12CA9ALOX5RAB9A | |
| SCHEMBL25231983 | 0.73 | PDK2 (0.45) | GAACA12CA9RAB9ANPC1 | |
| SCHEMBL23746417 | 0.73 | HIF1A (0.52) | HIF1AMGAMGAASIPTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5112972-A | Cardiovascular disorders as hypotensive agents, angina pectoris | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-05-12 | — | — | US | disclosed |