Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918809 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL196727 | 0.75 | — | — | |
| SCHEMBL1588979 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL26619691 | 0.73 | GAA (0.53) | ALDH1A1NPC1RAB9APKMKDM4E | |
| Hydrochloric Acid SCHEMBL28069204 | 0.73 | GAA (0.53) | ALDH1A1NPC1RAB9APKMKDM4E | |
| SCHEMBL28286273 | 0.73 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL23940274 | 0.71 | RAF1 (0.37) | ALDH1A1MEN1KMT2A | |
| SCHEMBL10430237 | 0.69 | SLC22A12 (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL183576 | 0.69 | — | — | |
| SCHEMBL20910 | 0.69 | — | — |
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-104370952-B | A kind of multi-functional Zn complex based on organic ligand and application thereof | 渤海大学 | 2016-08-17 | — | — | CN | disclosed |