Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL952362 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KMT2ACYP3A4HPGDMEN1 | |
| SCHEMBL28920176 | 0.78 | CYP3A4 (0.41) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD | |
| SCHEMBL2429579 | 0.78 | TRPV4 (0.43) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD | |
| SCHEMBL28031894 | 0.74 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP3A4HPGDMEN1 | |
| SCHEMBL28338346 | 0.74 | GPR35 (0.42) | ALDH1A1KMT2ACYP3A4HPGDMEN1 | |
| SCHEMBL14054812 | 0.74 | GABRB3 (0.42) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD | |
| SCHEMBL22289598 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KMT2AHPGDMEN1TP53 | |
| SCHEMBL1630139 | 0.73 | NMT1 (0.38) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD | |
| SCHEMBL8968834 | 0.73 | GSK3A (0.40) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD | |
| SCHEMBL967389 | 0.73 | KDM4E (0.47) | ALDH1A1KMT2ACYP3A4L3MBTL1HPGD |
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-2396301-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | Jerini AG (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010091876-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | JERINI AG (DE) | 2010-08-19 | — | — | WO | disclosed |