Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28299375 | 0.87 | KCNA3 (0.43) | ALDH1A1ATMCHRM3LMNACNR1 | |
| SCHEMBL28832222 | 0.86 | TDP1 (0.51) | ALDH1A1ATMTDP1LMNAPKM | |
| SCHEMBL28049321 | 0.86 | ALDH1A1 (0.40) | ALDH1A1ATMCHRM3TDP1LMNA | |
| SCHEMBL28030487 | 0.85 | CHRM2 (0.41) | ATMCHRM3CHRM2CHRM1TDP1 | |
| SCHEMBL28073265 | 0.84 | ALDH1A1 (0.37) | ALDH1A1ATMCHRM3CHRM2CHRM1 | |
| SCHEMBL28049253 | 0.83 | LMNA (0.47) | ALDH1A1ATMCHRM1LMNACYP2D6 | |
| SCHEMBL28086157 | 0.83 | LMNA (0.51) | ALDH1A1ATMLMNACYP2D6CYP1A2 | |
| SCHEMBL27999947 | 0.82 | GAA (0.53) | ALDH1A1CHRM3CHRM2CHRM1LMNA | |
| Hydrochloric Acid SCHEMBL28314858 | 0.82 | LMNA (0.54) | ALDH1A1ATMLMNACYP2D6CYP1A2 | |
| SCHEMBL28823469 | 0.81 | CYP3A4 (0.36) | ALDH1A1ATMCHRM3TDP1CACNA1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214141-A | Benzodiazole compound as ENaC inhibitor | 企业治疗学有限公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-110072857-A | 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-106795163-B | Bis-fluoro ethyls pyridine derivate as NR2B nmda receptor antagonist | 卢郡控股(开曼)有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-102827067-B | Beta-lactamase inhibitor | SCHERING CORPORATION (US) | 2015-09-23 | — | — | CN | disclosed |