Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.65 |
| ▸ | HPGD | P15428 | 7/20 | 0.65 |
| ▸ | TSHR | P16473 | 8/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.50 |
| ▸ | USP2 | O75604 | 8/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL23228686 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL1555840 | 0.84 | ALDH1A1 (0.59) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL20804673 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL303641 | 0.78 | PLD1 (0.59) | ALDH1A1HSD17B10CYP1A2CYP3A4USP2 | |
| SCHEMBL29999093 | 0.78 | PLD1 (0.59) | ALDH1A1HSD17B10CYP1A2CYP3A4USP2 | |
| Hydrochloric Acid SCHEMBL29701046 | 0.76 | PLD1 (0.58) | ALDH1A1HSD17B10CYP1A2CYP3A4USP2 | |
| Hydrochloric Acid SCHEMBL23123869 | 0.76 | PLD1 (0.58) | ALDH1A1HSD17B10CYP1A2CYP3A4USP2 | |
| Hydrochloric Acid SCHEMBL4812837 | 0.76 | PLD1 (0.58) | ALDH1A1HSD17B10CYP1A2CYP3A4USP2 | |
| SCHEMBL30057467 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP1A2HPGDTSHR | |
| SCHEMBL20255557 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP1A2HPGDTSHR |
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-116924976-A | Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-10-24 | — | — | CN | claimed |
| CN-116924976-A | Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-10-24 | — | — | CN | disclosed |