Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7906957 | 0.82 | CYP2C9 (0.52) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL7906878 | 0.79 | CYP2C9 (0.46) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL7906879 | 0.78 | CYP2C9 (0.65) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8846939 | 0.77 | CYP2C9 (0.54) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8372440 | 0.76 | DRD1 (0.44) | CYP2C9NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL7168158 | 0.76 | LTB4R (0.54) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8847109 | 0.75 | CYP2C9 (0.53) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL8846848 | 0.75 | CYP2C9 (0.60) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL7906952 | 0.75 | CYP2C9 (0.46) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 | |
| SCHEMBL1648045 | 0.75 | ALDH1A1 (0.73) | CYP2C9NPC1RAB9ANPSR1ALDH1A1 |
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-1999048490-A1 | ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE | ALLOS THERAPEUTICS, INC. (US) | 1999-09-30 | — | — | WO | claimed |
| US-6214879-B1 | Allosteric inhibitors of pyruvate kinase | VIRGINIA COMMONWEALTH UNIVERSITY | 2001-04-10 | — | — | US | disclosed |
| WO-1999048490-A1 | ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE | ALLOS THERAPEUTICS, INC. (US) | 1999-09-30 | — | — | WO | disclosed |