Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL455326 | 0.79 | NR1H2 (0.41) | MAPTCTRCKDM4EALDH1A1 | |
| SCHEMBL463333 | 0.74 | GRM5 (0.41) | MAPTNPC1SMN1; SMN2 | |
| SCHEMBL9844257 | 0.70 | HSD11B1 (0.47) | ABL1PDGFRACSNK1A1CDK7BTK | |
| SCHEMBL23535492 | 0.67 | MAPK14 (0.53) | NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL10377834 | 0.67 | CTRC (0.42) | ABL1PDGFRACSNK1A1CDK7BTK | |
| SCHEMBL3695641 | 0.66 | AKR1C2 (0.41) | MAPTMDM2CTRC | |
| SCHEMBL31133271 | 0.65 | MAOB (0.40) | MAPTHSD11B1TSHR | |
| SCHEMBL11525112 | 0.64 | NPC1 (0.54) | MAPTHSD11B1NPC1RAB9AALDH1A1 | |
| SCHEMBL23535549 | 0.63 | ATM (0.54) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2044221 | 0.63 | SRD5A2 (0.60) | CSNK2A1TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410857-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2014-01-29 | — | — | EP | disclosed |
| EP-2410857-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111058-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-09-30 | — | — | WO | disclosed |