Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.56 |
| ▸ | TUBB | P07437 | 3/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.56 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.56 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.56 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.56 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1677780 | 0.90 | CA12 (0.57) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL4320087 | 0.86 | POLB (0.65) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL3199504 | 0.85 | KMT2A (0.54) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL6775446 | 0.84 | CA12 (0.51) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL4464142 | 0.84 | HTR2A (0.75) | HTR2AHTR2CHTR2BCA12CA1 | |
| Hydrochloric Acid SCHEMBL9829288 | 0.84 | POLB (0.62) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL10501194 | 0.83 | CA12 (0.58) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL1967247 | 0.83 | ALDH1A1 (0.50) | HTR2AHTR2CHTR2BCA12CA1 | |
| SCHEMBL8533124 | 0.82 | GAA (0.60) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8026574 | 0.82 | GAA (0.60) | PTGS2TUBB4ATUBBTUBA3CTUBA1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0251194-A1 | Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation | BOEHRINGER INGELHEIM KG (DE) | 1988-01-07 | — | — | EP | claimed |
| EP-0251194-A1 | Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation | BOEHRINGER INGELHEIM KG (DE) | 1988-01-07 | — | — | EP | disclosed |