Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL9 | O00512 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GALR2 | O43603 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820760 | 0.90 | PKM (0.47) | KMT2ATP53PKMALDH1A1POLB | |
| SCHEMBL28820781 | 0.79 | MAPK1 (0.50) | MAPK1KMT2AALDH1A1POLBHPGD | |
| SCHEMBL28624434 | 0.79 | BCL9 (0.50) | BCL9CTNNB1KMT2ATP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28921668 | 0.78 | BCL9 (0.49) | BCL9CTNNB1KMT2ATP53ALDH1A1 | |
| SCHEMBL28808495 | 0.77 | KMT2A (0.42) | MAPK1KMT2ATP53ALDH1A1POLB | |
| SCHEMBL11147829 | 0.75 | TDP1 (0.60) | KMT2APKMALDH1A1POLBNPSR1 | |
| SCHEMBL29019476 | 0.75 | KMT2A (0.40) | MAPK1KMT2ATP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL4819312 | 0.74 | POLB (0.43) | MAPK1KMT2AALDH1A1POLBLMNA | |
| SCHEMBL28985286 | 0.73 | PKM (0.49) | KMT2APKMALDH1A1POLBNPSR1 | |
| SCHEMBL733777 | 0.73 | KMT2A (0.69) | KMT2ATP53PKMALDH1A1NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907261-B | 2-phenylaminoquinoline derivative, preparation method and application thereof | 湖南中医药大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-113845485-B | Amino acid derivative and preparation method and application thereof | 湖南中医药大学 | 2023-03-14 | — | — | CN | disclosed |
| CN-114907261-A | 2-phenylamino quinoline derivative and preparation method and application thereof | 湖南中医药大学 | 2022-08-16 | — | — | CN | disclosed |