Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | TDO2 | P48775 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29210204 | 0.80 | MEN1 (0.48) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL29210209 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL29216607 | 0.75 | CCR1 (0.55) | ALDH1A1KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL9360775 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL30901429 | 0.71 | MAPT (0.65) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL11973087 | 0.71 | MAPT (0.65) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL1094404 | 0.69 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTTDP1PKM | |
| SCHEMBL9360251 | 0.69 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL16370945 | 0.68 | ATM (0.48) | ALDH1A1KDM4EMAPTTDP1PKM | |
| SCHEMBL9364397 | 0.68 | MEN1 (0.63) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117820225-A | 3- (8-amino-5, 6-difluoro-4-quinolyl) -2-cyanoacrylate, and preparation method and application thereof | 湘潭大学 | 2024-04-05 | — | — | CN | claimed |
| CN-117820225-A | 3- (8-amino-5, 6-difluoro-4-quinolyl) -2-cyanoacrylate, and preparation method and application thereof | 湘潭大学 | 2024-04-05 | — | — | CN | disclosed |