Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8957372 | 0.84 | GSR (0.50) | GSRPTGS2PTGS1NPC1ADAM17 | |
| SCHEMBL4587515 | 0.79 | SCN4A (0.52) | GSRPTGS2TACR1 | |
| SCHEMBL14000549 | 0.79 | SCN4A (0.52) | GSRPTGS2TACR1 | |
| SCHEMBL9803273 | 0.78 | GSR (0.67) | GSRPTGS2PTGS1NPC1ADAM17 | |
| SCHEMBL8957388 | 0.77 | GSR (0.47) | GSRPTGS2PTGS1NPC1ADAM17 | |
| SCHEMBL9874449 | 0.74 | PTGS1 (0.49) | GSRPTGS2PTGS1LMNACYP1A2 | |
| Nitric Acid SCHEMBL9872245 | 0.73 | GSR (0.51) | GSRNPC1ADAM17ALDH1A1LMNA | |
| SCHEMBL812241 | 0.71 | PBRM1 (0.47) | TACR1PBRM1LMNAKMT2ACYP1A2 | |
| SCHEMBL29603838 | 0.70 | GSR (0.38) | GSRPTGS2PTGS1NPC1ALDH1A1 | |
| SCHEMBL8957398 | 0.69 | GSR (0.51) | GSRPTGS2PTGS1NPC1ADAM17 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |