Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8058953 | 0.85 | ATM (0.47) | ALDH1A1KMT2ACTSSCTSLMAPT | |
| SCHEMBL18829154 | 0.82 | KMT2A (0.48) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL6607452 | 0.79 | LMNA (0.61) | ALDH1A1TSHRCTSSCTSKCTSL | |
| SCHEMBL14853205 | 0.78 | HDAC1 (0.57) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL18269671 | 0.77 | KMT2A (0.47) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL18269666 | 0.77 | KMT2A (0.47) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL14624894 | 0.76 | CYP3A4 (0.55) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL19287392 | 0.76 | KMT2A (0.46) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL3137086 | 0.76 | KMT2A (0.46) | ALDH1A1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL5302351 | 0.74 | KMT2A (0.49) | ALDH1A1KMT2ATSHRCYP3A4CYP2C19 |
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-0844992-B1 | PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF | DEGUSSA (DE) | 2000-05-24 | — | — | EP | disclosed |