Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12884443 | 0.79 | ALDH1A1 (0.59) | ALDH1A1DPP4NPC1HPGDMEN1 | |
| SCHEMBL15471535 | 0.78 | HPGD (0.40) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL12336187 | 0.78 | HPGD (0.40) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL22472889 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL12884446 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL21606206 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL18051826 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL18997772 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HTTMMP1MMP2DPP4 | |
| SCHEMBL6316252 | 0.75 | DPP4 (0.47) | ALDH1A1MMP1MMP2DPP4DPP7 | |
| SCHEMBL4128646 | 0.75 | DPP7 (0.43) | ALDH1A1HTTMMP1MMP2DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019243851-A1 | BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-12-26 | — | — | WO | disclosed |