Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16446497 | 0.98 | ALDH1A1 (0.46) | ALDH1A1CYP3A4SMN1; SMN2KMT2AALOX5 | |
| Water SCHEMBL8819165 | 0.96 | ALDH1A1 (0.45) | ALDH1A1CYP3A4SMN1; SMN2KMT2AALOX5 | |
| SCHEMBL9342917 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4KMT2ACYP2D6SRC | |
| SCHEMBL4926455 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4KMT2ACYP2D6SRC | |
| SCHEMBL21116730 | 0.82 | ALOX5 (0.42) | ALDH1A1ALOX5CYP2D6PKMCYP2C19 | |
| SCHEMBL19734828 | 0.81 | F9 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL19716608 | 0.81 | MAPK1 (0.40) | ALDH1A1CYP3A4CYP2C19LMNA | |
| SCHEMBL19716485 | 0.81 | F9 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL19716845 | 0.81 | PARP10 (0.47) | ALDH1A1CYP3A4SMN1; SMN2KMT2ACYP2C19 | |
| SCHEMBL31292166 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KMT2ACYP2D6SRC |
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-109563043-B | Substituted pyridines as inhibitors of DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-05-31 | — | — | CN | disclosed |