Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11590015 | 0.76 | ALDH1A1 (0.38) | ALDH1A1GAACHRNB2CHRNB4CHRNA4 | |
| SCHEMBL967318 | 0.70 | — | — | |
| SCHEMBL538749 | 0.70 | — | — | |
| SCHEMBL8172816 | 0.70 | ALDH1A1 (0.45) | ALDH1A1GAACHRNB2CHRNB4CHRNA4 | |
| SCHEMBL11614140 | 0.70 | ALDH1A1 (0.45) | ALDH1A1GAACHRNB2CHRNB4CHRNA4 | |
| SCHEMBL8172250 | 0.70 | — | — | |
| SCHEMBL11528306 | 0.70 | ALDH1A1 (0.34) | ALDH1A1GAAFAAH | |
| SCHEMBL4770950 | 0.69 | — | — | |
| SCHEMBL8040713 | 0.69 | — | — | |
| SCHEMBL3934067 | 0.69 | ALDH1A1 (0.43) | ALDH1A1GAAMMP1MMP2MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4156735-A | SALIDIURETICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-05-29 | — | — | US | disclosed |