Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL18922475 | 0.90 | ACHE (0.45) | ALDH1A1CYP3A4ACHEFFAR4PKM | |
| SCHEMBL10177293 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4ACHEFFAR4PKM | |
| SCHEMBL10177354 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4ACHEFFAR4PKM | |
| SCHEMBL12930000 | 0.77 | CNR2 (0.38) | ALDH1A1CYP3A4ACHECA12CA1 | |
| SCHEMBL24557402 | 0.75 | RAPGEF4 (0.44) | ALDH1A1CYP3A4ACHEPKML3MBTL1 | |
| SCHEMBL365166 | 0.74 | ACHE (0.42) | ALDH1A1CYP3A4ACHEFFAR4PKM | |
| SCHEMBL367308 | 0.74 | ACHE (0.42) | ALDH1A1CYP3A4ACHEFFAR4PKM | |
| SCHEMBL12930003 | 0.72 | CTSA (0.36) | ALDH1A1CYP3A4L3MBTL1HPGDHSD17B10 | |
| SCHEMBL11249754 | 0.72 | PDE4A (0.41) | ALDH1A1L3MBTL1KDM4EHPGDCA12 | |
| SCHEMBL12929982 | 0.72 | POLB (0.42) | ALDH1A1TSHRMAPK1CA1CA2 |
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-3461556-A1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | AbbVie Ireland Unlimited Company (IE) | 2019-04-03 | — | — | EP | disclosed |