Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 9/20 | 0.54 |
| ▸ | LTB4R2 | Q9NPC1 | 9/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8420271 | 0.83 | LTB4R (0.52) | LTB4RLTB4R2RORCLRRK2ALDH1A1 | |
| SCHEMBL7906952 | 0.83 | CYP2C9 (0.46) | LTB4RLTB4R2NPC1CYP2C9RAB9A | |
| SCHEMBL10591294 | 0.81 | LTB4R (0.54) | LTB4RLTB4R2RORCLRRK2ALDH1A1 | |
| SCHEMBL7906957 | 0.80 | CYP2C9 (0.52) | LTB4RLTB4R2NPC1CYP2C9RAB9A | |
| SCHEMBL10698079 | 0.80 | LTB4R (0.53) | LTB4RLTB4R2CYP2C9RORCLRRK2 | |
| SCHEMBL1299317 | 0.80 | RORC (0.58) | LTB4RLTB4R2CYP2C9RORCALDH1A1 | |
| SCHEMBL312341 | 0.80 | LTB4R (0.53) | LTB4RLTB4R2RORCLRRK2ALDH1A1 | |
| SCHEMBL7906878 | 0.79 | CYP2C9 (0.46) | LTB4RLTB4R2NPC1CYP2C9RAB9A | |
| SCHEMBL8846974 | 0.79 | NPC1 (0.40) | LTB4RLTB4R2NPC1CYP2C9RAB9A | |
| SCHEMBL9408339 | 0.79 | LTB4R (0.52) | LTB4RLTB4R2RORCLRRK2ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214879-B1 | Allosteric inhibitors of pyruvate kinase | VIRGINIA COMMONWEALTH UNIVERSITY | 2001-04-10 | — | — | US | claimed |
| WO-1999048490-A1 | ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE | ALLOS THERAPEUTICS, INC. (US) | 1999-09-30 | — | — | WO | claimed |
| US-6534501-B2 | Allosteric inhibitors of pyruvate kinase | ALLOS THERAPEUTICS, INC. | 2003-03-18 | — | — | US | disclosed |
| US-20010046997-A1 | Allosteric inhibitors of pyruvate kinase | ALLOS THERAPEUTICS, INC. | 2001-11-29 | — | — | US | disclosed |
| 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 |
| US-5599974-A | ALDEHYDE AND ACID CONTAINING COMPOUNDS BOND WITH VALINE, ARGININE, AND LYSINE OF HEMOGLOBIN MOLECULE TO MODIFY MOLECULE | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1997-02-04 | — | — | US | disclosed |