Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7301461 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19ALDH1A1TRPM8CDC7 | |
| SCHEMBL5124741 | 0.78 | APP (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL7298660 | 0.75 | APP (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL13034172 | 0.74 | RAB9A (0.67) | CYP1A2CYP2C19ALDH1A1ALOX5SMN1; SMN2 | |
| SCHEMBL29226750 | 0.72 | ILK (0.59) | ALDH1A1TRPM8SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5116616 | 0.72 | SMN1; SMN2 (0.51) | ALDH1A1TRPM8CDC7DBF4SMN1; SMN2 | |
| SCHEMBL8051660 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL9587811 | 0.71 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL28746028 | 0.70 | SMN1; SMN2 (0.50) | ALDH1A1ALOX5SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5255523 | 0.70 | ALDH1A1 (0.65) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412099-A | Intermediate benzothiazolyl- and benzoxazolyl-aldehyde compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1995-05-02 | — | — | US | disclosed |
| EP-0450420-B1 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5254692-A | Inotropic | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |
| US-5200420-A | Inotropic agents for cardiovascular disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| EP-0450420-A2 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1991-10-09 | — | — | EP | disclosed |