Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4786847 | 0.81 | KDM4E (0.38) | ALDH1A1EGLN3KDM4EHTT | |
| SCHEMBL4814491 | 0.78 | MEN1 (0.43) | ALDH1A1EGLN3SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL28172332 | 0.78 | — | — | |
| SCHEMBL11067549 | 0.77 | ALDH1A1 (0.39) | ALDH1A1EGLN3HTTL3MBTL1CYP3A4 | |
| SCHEMBL170781 | 0.75 | — | — | |
| SCHEMBL9113432 | 0.75 | — | — | |
| SCHEMBL11011551 | 0.74 | HPGD (0.47) | ALDH1A1SMN1; SMN2KDM4ELMNAHTT | |
| Ammonia Solution, Strong SCHEMBL28070320 | 0.74 | ALDH1A1 (0.41) | ALDH1A1EGLN3HTT | |
| SCHEMBL27435422 | 0.74 | — | — | |
| SCHEMBL1906544 | 0.74 | — | — |
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-2079708-A2 | ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES | Bayer HealthCare AG (DE) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008043533-A2 | ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-04-17 | — | — | WO | disclosed |