Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL28629103 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL24921472 | 0.76 | KDM4E (0.61) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL30646320 | 0.75 | PLD1 (0.45) | ALDH1A1KDM4EHSD17B10HTTTDP1 | |
| SCHEMBL219142 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL30620934 | 0.74 | GPR119 (0.60) | — | |
| SCHEMBL27766592 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL34460632 | 0.73 | GPR119 (0.43) | ALDH1A1HSD17B10MEN1LMNAKMT2A | |
| SCHEMBL28664080 | 0.71 | PIK3CA (0.54) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL29040447 | 0.71 | — | — | |
| SCHEMBL27993741 | 0.71 | SMN1; SMN2 (0.58) | KDM4ESMN1; SMN2HTTKMT2APOLB |
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-113330001-B | 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same | 柳韩洋行 | 2024-07-02 | — | — | CN | disclosed |
| CN-111886227-B | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them | 柳韩洋行 | 2023-10-13 | — | — | CN | disclosed |