Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TOP2A | P11388 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 4/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13312213 | 0.88 | CYP1A2 (0.67) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL14705971 | 0.87 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL13459301 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL25224454 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDMAPK1LMNA | |
| SCHEMBL22627410 | 0.78 | NPC1 (0.72) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL1786995 | 0.77 | KMT2A (0.55) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL5740019 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL6409798 | 0.76 | CYP1A2 (0.66) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL12651563 | 0.76 | KMT2A (0.52) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL18031314 | 0.75 | MAP2K3 (0.54) | ALDH1A1KDM4EHPGDKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020029980-A1 | SMAD3 INHIBITORS | MOEXA PHARMACEUTICALS LIMITED (CN) | 2020-02-13 | — | — | WO | disclosed |