Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13737590 | 0.86 | CALM1 (0.53) | CALM1ALOX5TAAR1IGF1RALOX15 | |
| SCHEMBL7051536 | 0.79 | KCNJ1 (0.54) | CALM1KCNJ1KCNH2ALOX5TAAR1 | |
| SCHEMBL8957375 | 0.79 | ESR1 (0.45) | CALM1TAAR1CA12CA1CA2 | |
| SCHEMBL8957396 | 0.79 | IDO1 (0.52) | CA12CA1CA2CA4CA9 | |
| SCHEMBL13396320 | 0.79 | ALDH1A1 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL8957335 | 0.77 | SMN1; SMN2 (0.58) | CA12CA1CA2CA4CA9 | |
| SCHEMBL3022392 | 0.77 | MAPT (0.41) | KCNH2CA12CA1CA2CA4 | |
| Nitric Acid SCHEMBL9874342 | 0.77 | CALM1 (0.54) | CALM1KCNJ1KCNH2ALOX5TAAR1 | |
| SCHEMBL11740096 | 0.76 | CALM1 (0.62) | CALM1ALOX5TAAR1CA12CA1 | |
| SCHEMBL10595320 | 0.76 | POLB (0.46) | CA12CA1CA2CA4CA9 |
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 5 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 |
| WO-2012152438-A1 | PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS | NICOX S.A. (FR) | 2012-11-15 | — | — | WO | disclosed |
| 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 |