Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150720 | 0.90 | TSHR (0.36) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL13738263 | 0.90 | TAAR1 (0.42) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL5150726 | 0.90 | ACHE (0.42) | TSHRKCNH2ALDH1A1 | |
| SCHEMBL5150873 | 0.90 | TSHR (0.44) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL1491311 | 0.89 | CA1 (0.46) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL22227479 | 0.86 | CA12 (0.36) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL23927597 | 0.85 | TDP1 (0.47) | TSHRCA1CA2CA12CA4 | |
| SCHEMBL13396327 | 0.85 | ALDH1A1 (0.45) | KCNH2KCNJ1ALDH1A1IDO1 | |
| SCHEMBL4586798 | 0.84 | FFAR1 (0.41) | TSHRCA1CA2ALDH1A1 | |
| SCHEMBL4586795 | 0.79 | CA12 (0.42) | CA1CA2CA12CA4CA9 |
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 |
| US-5049694-A | Cardiovascular disorders | CEDONA PHARMACEUTICALS B.V. (NL) | 1991-09-17 | — | — | US | 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 |