Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8957402 | 0.82 | GRIN2D (0.49) | ALDH1A1CYP2C19NPSR1LMNAKMT2A | |
| SCHEMBL9803859 | 0.76 | ALDH1A1 (0.42) | ALDH1A1ESR2GSRLMNA | |
| SCHEMBL42638 | 0.75 | TAAR1 (0.58) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| SCHEMBL10950133 | 0.75 | TAAR1 (0.48) | TAAR1ALDH1A1MAPK1CYP2C19HIF1A | |
| SCHEMBL9508355 | 0.73 | TAAR1 (0.56) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| SCHEMBL15863039 | 0.72 | TAAR1 (0.45) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| Nitric Acid SCHEMBL9873795 | 0.72 | TAAR1 (0.45) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| SCHEMBL8278933 | 0.71 | TAAR1 (0.54) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| SCHEMBL28688799 | 0.71 | MAPK1 (0.52) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 | |
| SCHEMBL109031 | 0.70 | TAAR1 (0.52) | TAAR1ALDH1A1MAPK1ESR2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0689435-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021248-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1994-09-29 | — | — | WO | claimed |
| US-5049694-A | Cardiovascular disorders | CEDONA PHARMACEUTICALS B.V. (NL) | 1991-09-17 | — | — | US | disclosed |
| EP-0359335-A2 | Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance | CEDONA PHARMACEUTICALS B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |