Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | MMP7 | P09237 | 3/20 | 0.40 |
| ▸ | MMP12 | P39900 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL382294 | 0.99 | ALDH1A1 (0.41) | ALDH1A1GAAHPGDTSHRMMP1 | |
| SCHEMBL4595512 | 0.88 | EPHX2 (0.45) | ALDH1A1GAAHPGDTSHRMMP1 | |
| SCHEMBL4596094 | 0.86 | EPHX2 (0.46) | ALDH1A1GAAHPGDTSHRMMP1 | |
| SCHEMBL8648589 | 0.74 | CYP2C19 (0.45) | ALDH1A1GAATSHRMMP1MMP13 | |
| SCHEMBL8648590 | 0.74 | CYP2C19 (0.45) | ALDH1A1GAATSHRMMP1MMP13 | |
| SCHEMBL6497984 | 0.71 | CYP2C19 (0.43) | ALDH1A1GAATSHRMMP1MMP13 | |
| SCHEMBL8742349 | 0.71 | ATM (0.43) | ALDH1A1GAAHPGDTSHRMMP1 | |
| SCHEMBL6418766 | 0.71 | MMP2 (0.47) | ALDH1A1GAAMMP1MMP7MMP12 | |
| SCHEMBL14676221 | 0.71 | ATM (0.44) | ALDH1A1GAATSHRMMP1MMP13 | |
| SCHEMBL1278954 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TSHRL3MBTL1KMT2AEPHX2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1074543-B1 | AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS | MEIJI SEIKA PHARMA CO LTD (JP) | 2012-01-25 | — | — | EP | disclosed |