Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL9885994 | 0.77 | MET (0.54) | TLR9PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9203841 | 0.76 | PARP1 (0.54) | PARP1NPC1RAB9AALDH1A1 | |
| SCHEMBL28221938 | 0.76 | NPC1 (0.60) | TLR9PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13019019 | 0.76 | NPC1 (0.53) | TLR9PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31353303 | 0.76 | RAB9A (0.47) | TLR9PARP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20212713 | 0.76 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1GAA | |
| SCHEMBL1034874 | 0.75 | PARP1 (0.62) | PARP1SMN1; SMN2PARP2BCHEALDH1A1 | |
| SCHEMBL9409728 | 0.75 | PARP1 (0.48) | PARP1NPC1RAB9ASMN1; SMN2PDGFRB | |
| SCHEMBL31353202 | 0.73 | PARP1 (0.59) | PARP1NPC1RAB9ASMN1; SMN2PDGFRB | |
| SCHEMBL7111338 | 0.73 | PARP1 (0.80) | PARP1PARP2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5721248-A | CALCIUM AGONISTS; TREATING CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-24 | — | — | US | disclosed |
| US-5545646-A | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-08-13 | — | — | US | disclosed |
| EP-0630895-A1 | 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-12-28 | — | — | EP | disclosed |