Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2804012 | 0.83 | CA1 (0.46) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL8864691 | 0.80 | PTGS2 (0.40) | CA1CA2CA9GSRPTGS1 | |
| SCHEMBL8957507 | 0.78 | GSR (0.49) | GSR | |
| SCHEMBL4745678 | 0.77 | MAPT (0.40) | PTGS1PTGS2ALOX15KMT2A | |
| Ammonia Solution, Strong SCHEMBL11150612 | 0.77 | GSR (0.47) | GSR | |
| Nitric Acid SCHEMBL9873739 | 0.76 | CA1 (0.65) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4535810 | 0.74 | TSHR (0.58) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL27550684 | 0.73 | TSHR (0.52) | TSHRCA1CA2CA9KMT2A | |
| SCHEMBL30609755 | 0.72 | PTGS2 (0.44) | GSRPTGS1PTGS2KMT2A | |
| SCHEMBL9951854 | 0.72 | PTGS2 (0.44) | GSRPTGS1PTGS2KMT2A |
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 |