Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.44 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 5/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM4B | O94953 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13939871 | 0.90 | DAO (0.45) | SMN1; SMN2NPC1HTTRAB9ATAAR1 | |
| SCHEMBL7618263 | 0.84 | TAAR1 (0.58) | SMN1; SMN2HTTKDM4ETAAR1PARP1 | |
| SCHEMBL7621859 | 0.79 | TAAR1 (0.47) | HTTKDM4ETAAR1PARP1DAO | |
| SCHEMBL942676 | 0.76 | RAB9A (0.52) | SMN1; SMN2NPC1HTTRAB9ATAAR1 | |
| SCHEMBL4158770 | 0.74 | MEN1 (0.51) | SMN1; SMN2NPC1HTTRAB9AKDM4E | |
| SCHEMBL570036 | 0.74 | TAAR1 (0.69) | SMN1; SMN2NPC1RAB9ATAAR1DAO | |
| SCHEMBL14206716 | 0.74 | PDE3B (0.44) | SMN1; SMN2TAAR1NISCHALDH1A1KDM5B | |
| SCHEMBL13939862 | 0.74 | TBXAS1 (0.35) | SMN1; SMN2KDM4EMTORADKNISCH | |
| SCHEMBL13412493 | 0.74 | DAO (0.39) | SMN1; SMN2DAONISCHALDH1A1KDM4A | |
| SCHEMBL7412252 | 0.73 | ALDH1A1 (0.54) | RAB9AALDH1A1TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | claimed |