Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 12/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511525 | 0.82 | VCAM1 (0.56) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL29936572 | 0.82 | VCAM1 (0.56) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL13239653 | 0.75 | VCAM1 (0.50) | VCAM1ALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL15380348 | 0.73 | VCAM1 (0.54) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL28555521 | 0.73 | SMN1; SMN2 (0.59) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL4520586 | 0.72 | VCAM1 (0.53) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| Hydrochloric Acid SCHEMBL29159241 | 0.72 | VCAM1 (0.53) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL10389338 | 0.71 | VCAM1 (0.56) | VCAM1ALDH1A1KDM4EPOLB | |
| SCHEMBL15600303 | 0.71 | KDM1A (0.54) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL2585956 | 0.71 | CALM1 (0.43) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5684205-A | CHLORIDE CHANNEL BLOCKERS FOR CONTROLLING AIRWAY DISEASES, SECRETORY DIARRHEA AND ANTIINFLAMMATORY AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-11-04 | — | — | US | claimed |
| EP-0701988-A1 | Substituted cyclopentane-di- and triones, their preparation and their use as chloride channel blockers | BAYER AG (DE) | 1996-03-20 | — | — | EP | claimed |
| US-5684205-A | CHLORIDE CHANNEL BLOCKERS FOR CONTROLLING AIRWAY DISEASES, SECRETORY DIARRHEA AND ANTIINFLAMMATORY AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-11-04 | — | — | US | disclosed |
| EP-0701988-A1 | Substituted cyclopentane-di- and triones, their preparation and their use as chloride channel blockers | BAYER AG (DE) | 1996-03-20 | — | — | EP | disclosed |