Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23610315 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL3541224 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL8340797 | 0.80 | KMT2A (0.51) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL16864136 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL30945860 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL626772 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CA2CA1CA9KDM4E | |
| SCHEMBL11273783 | 0.78 | CA2 (0.55) | CA2CA1SPHK2SPHK1SCN3A | |
| SCHEMBL8338352 | 0.77 | CYP2C9 (0.61) | ALDH1A1CA2CA1CA9CA12 | |
| SCHEMBL3705685 | 0.77 | SCN3A (0.55) | ALDH1A1KDM4ESPHK2SPHK1HDAC1 | |
| SCHEMBL840310 | 0.77 | MEN1 (0.50) | CA2CA1CA9CA12CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1050376-A | Acyl-CoA: cholesterol acyltransferase inhibitor | WARBER LAMBERT CO (US) | 1991-04-03 | — | — | CN | disclosed |