Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20195371 | 0.77 | ALDH1A1 (0.43) | ACHEALDH1A1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL19931084 | 0.77 | CASP1 (0.41) | ALDH1A1POLBKDM4EDDB1CRBN | |
| SCHEMBL20662470 | 0.77 | SMN1; SMN2 (0.43) | HPGDALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL19274514 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL26258836 | 0.76 | RECQL (0.39) | ALDH1A1POLBRAB9AKDM4EL3MBTL1 | |
| SCHEMBL20662479 | 0.76 | SMN1; SMN2 (0.46) | HPGDALDH1A1POLBCHRNA1CHRNG | |
| SCHEMBL18583232 | 0.75 | HPGD (0.43) | HRH3HPGDACHEALDH1A1POLB | |
| SCHEMBL22080789 | 0.75 | DHCR7 (0.42) | HRH3KDM4EDDB1CRBN | |
| SCHEMBL2058891 | 0.74 | ALDH1A1 (0.50) | HPGDALDH1A1RAB9ASLC6A3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1081473 | 0.74 | SMN1; SMN2 (0.45) | HPGDALDH1A1POLBCHRNA1CHRNG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3327021-A1 | JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF | Yangji Chemical Co., Ltd. (KR) | 2018-05-30 | — | — | EP | disclosed |