Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 8/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 8/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL3661059 | 0.86 | NPC1 (0.41) | P2RX3NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL2760957 | 0.85 | NPC1 (0.41) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1495762 | 0.82 | LDHA (0.50) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1495624 | 0.81 | NPC1 (0.43) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3058837 | 0.79 | P2RX3 (0.45) | P2RX3P2RX2NR1I2LDHACYP2C9 | |
| SCHEMBL27748144 | 0.79 | NPC1 (0.41) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3474997 | 0.77 | DHODH (0.54) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL358035 | 0.76 | LDHA (0.58) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3473972 | 0.76 | LDHA (0.55) | LDHA | |
| SCHEMBL2171200 | 0.76 | RAB9A (0.44) | P2RX3P2RX2NPC1RAB9ASMN1; SMN2 |
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-2215049-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009058298-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |