Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | NMT1 | P30419 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28299374 | 0.87 | ALDH1A1 (0.65) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| Piperazine SCHEMBL28816742 | 0.86 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| SCHEMBL28832220 | 0.86 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| SCHEMBL28030486 | 0.86 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| SCHEMBL28049319 | 0.86 | ALDH1A1 (0.63) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| SCHEMBL28073264 | 0.83 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| Pyrrolidine SCHEMBL28053584 | 0.83 | ALDH1A1 (0.73) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| Azetidine SCHEMBL28049251 | 0.83 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| SCHEMBL28819055 | 0.83 | ALDH1A1 (0.55) | ALDH1A1NMT1TSHRHTR2CKDM1A | |
| SCHEMBL28330828 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NMT1TSHRHTR2C |
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 |