Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986325 | 0.81 | CA1 (0.47) | ALDH1A1LMNAHPGDL3MBTL1ACHE | |
| SCHEMBL10995395 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL10986168 | 0.78 | NFKB1 (0.47) | SMN1; SMN2NPC1RAB9ALMNAMAPT | |
| SCHEMBL10992253 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TSHRKDM4ESMN1; SMN2LMNA | |
| SCHEMBL10984253 | 0.77 | AKR1C3 (0.52) | ALDH1A1TSHRSMN1; SMN2HTTMAPT | |
| SCHEMBL10984250 | 0.77 | AKR1C3 (0.52) | ALDH1A1TSHRSMN1; SMN2HTTMAPT | |
| SCHEMBL11114396 | 0.76 | MAPT (0.55) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL10989710 | 0.76 | MAPT (0.55) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL2439822 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL13287298 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ESMN1; SMN2NPC1 |
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-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |
| US-4179500-A | 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-18 | — | — | US | disclosed |
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |