Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 6/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21339749 | 0.73 | SRC (0.52) | CYP1A2KMT2AKDM4ELMNAHSD17B10 | |
| SCHEMBL23171132 | 0.73 | KMT2A (0.46) | CYP1A2KMT2AKDM4ELMNAHSD17B10 | |
| SCHEMBL18643546 | 0.71 | TYMS (0.43) | KDM4ELMNAHSD17B10PARP1ALDH1A1 | |
| SCHEMBL28798580 | 0.70 | KDM4E (0.46) | CYP1A2KDM4ELMNAHSD17B10PARP1 | |
| SCHEMBL10715469 | 0.69 | KMT2A (0.79) | CYP1A2KMT2ALMNAALDH1A1MAPT | |
| SCHEMBL6014115 | 0.69 | HCAR2 (0.59) | CYP1A2KDM4EPARP1TNKS2CYP2D6 | |
| SCHEMBL11546938 | 0.69 | SRC (0.62) | CYP1A2KDM4ELMNAHSD17B10PARP1 | |
| SCHEMBL17831899 | 0.69 | PARP1 (0.53) | CYP1A2KDM4ELMNAHSD17B10PARP1 | |
| SCHEMBL18643630 | 0.69 | KDM4E (0.77) | KMT2AKDM4ELMNAHSD17B10PARP1 | |
| SCHEMBL8278866 | 0.68 | PARP1 (0.46) | CYP1A2KDM4ELMNAHSD17B10PARP1 |
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-118339172-A | Phosphonic acid compounds and prodrugs thereof, preparation method and application thereof | 上海海和药物研究开发股份有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-117980293-A | Hydroxamic acid compound with ENPP1 inhibitory activity and application thereof | 上海海和药物研究开发股份有限公司 | 2024-05-03 | — | — | CN | disclosed |