Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL18891533 | 0.87 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ARAB9ATDP1 | |
| SCHEMBL28324755 | 0.75 | CYP2A6 (0.58) | ALDH1A1RAB9ATDP1MAPTSMN1; SMN2 | |
| SCHEMBL28505232 | 0.74 | KDM4E (0.57) | ALDH1A1MEN1KMT2ARAB9ATDP1 | |
| SCHEMBL16332952 | 0.73 | GRM5 (0.39) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL7984520 | 0.73 | FFAR2 (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL11712255 | 0.73 | RAB9A (0.55) | ALDH1A1MEN1KMT2ARAB9AKDM4E | |
| SCHEMBL13723366 | 0.73 | XIAP (0.50) | ALDH1A1MEN1KMT2ARAB9ATDP1 | |
| SCHEMBL1861757 | 0.73 | RAB9A (0.55) | ALDH1A1MEN1KMT2ARAB9AKDM4E | |
| SCHEMBL21159432 | 0.73 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| SCHEMBL30203797 | 0.72 | — | — |
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 |