Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCPS | Q96C86 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663295 | 0.89 | DCPS (0.63) | DCPSCYP1A2CYP1A1CYP1B1HSD17B10 | |
| SCHEMBL3340310 | 0.89 | DCPS (0.63) | DCPSCYP1A2CYP1A1CYP1B1HSD17B10 | |
| Aminacrine SCHEMBL29566014 | 0.76 | HSD17B10 (0.75) | DCPSCYP1A2HSD17B10TP53ALDH1A1 | |
| Formamide SCHEMBL28690144 | 0.74 | HSD17B10 (0.55) | CYP1A2HSD17B10TP53ERN1ALDH1A1 | |
| SCHEMBL27990129 | 0.73 | ERN1 (0.53) | CYP1A2HSD17B10ERN1ALDH1A1HPGD | |
| 4-Aminoquinazoline SCHEMBL30455007 | 0.71 | PI4KA (0.78) | DCPSERN1LMNANCF1ADORA3 | |
| SCHEMBL28158782 | 0.70 | LCK (0.49) | CYP1A2HSD17B10TP53ALDH1A1HPGD | |
| SCHEMBL12261782 | 0.70 | HSD17B10 (0.54) | DCPSCYP1A2CYP1A1CYP1B1HSD17B10 | |
| SCHEMBL12441316 | 0.70 | TDP1 (0.51) | HSD17B10ALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL3802417 | 0.70 | DCPS (0.63) | DCPSCYP1A2CYP1A1CYP1B1HSD17B10 |
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-116323590-A | Substituted benzo or pyridopyrimidine amine inhibitor, preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116143708-A | Polysubstituted benzazepine heteroaryl derivative and application thereof | 四川汇宇制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |