Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PANK3 | Q9H999 | 2/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 5/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | BPTF | Q12830 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28880753 | 0.99 | PANK3 (0.43) | PANK3PLD1NTRK1ADRB1RET | |
| Hydrochloric Acid SCHEMBL29978981 | 0.99 | PANK3 (0.43) | PANK3PLD1NTRK1ADRB1RET | |
| SCHEMBL270536 | 0.83 | PLD1 (0.49) | PANK3PLD1NTRK1ADRB1GPR119 | |
| SCHEMBL15316690 | 0.81 | ADRB1 (0.50) | PLD1ADRB1GPR119BPTFALDH1A1 | |
| SCHEMBL17128345 | 0.81 | OGA (0.50) | PANK3PLD1NTRK1ADRB1GPR119 | |
| Hydrochloric Acid SCHEMBL28341448 | 0.79 | OGA (0.49) | PANK3PLD1NTRK1ADRB1GPR119 | |
| SCHEMBL27772210 | 0.78 | ADRB1 (0.48) | PLD1ADRB1GPR119ALDH1A1MAPT | |
| SCHEMBL17035908 | 0.77 | ADRB1 (0.60) | PLD1ADRB1ALDH1A1MAPT | |
| SCHEMBL30101389 | 0.77 | ADRB1 (0.60) | PLD1ADRB1ALDH1A1MAPT | |
| SCHEMBL231823 | 0.77 | ADRB1 (0.60) | PLD1ADRB1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019062657-A1 | NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 北京越之康泰生物医药科技有限公司 | 2019-04-04 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |