Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22436192 | 0.78 | HTR2A (0.35) | ALDH1A1SMN1; SMN2HAO1ALOX5 | |
| SCHEMBL20662470 | 0.77 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2SLC6A3CHRNB2SLC6A2 | |
| SCHEMBL19931084 | 0.77 | CASP1 (0.41) | ALDH1A1SIGMAR1 | |
| SCHEMBL19274514 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL20195342 | 0.77 | HRH3 (0.42) | ALDH1A1SMN1; SMN2SLC6A3DRD2CHRNB2 | |
| SCHEMBL20662479 | 0.76 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2SLC6A3CHRNB2SLC6A2 | |
| SCHEMBL18581058 | 0.75 | ATM (0.38) | ALDH1A1ACHE | |
| SCHEMBL18583327 | 0.75 | USP2 (0.37) | ALDH1A1ALOX5 | |
| SCHEMBL2058891 | 0.74 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2SLC6A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1081473 | 0.74 | SMN1; SMN2 (0.45) | ALDH1A1SMN1; SMN2SLC6A3CHRNB2SLC6A2 |
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-105439932-B | A kind of penem-like pharmaceutical intermediate and preparation method thereof | 北大方正集团有限公司 | 2018-06-29 | — | — | CN | disclosed |
| EP-3327021-A1 | JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF | Yangji Chemical Co., Ltd. (KR) | 2018-05-30 | — | — | EP | disclosed |