Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 2/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3662211 | 0.86 | P2RX3 (0.42) | NPC1RAB9ASMN1; SMN2TP53LDHA | |
| SCHEMBL3072242 | 0.76 | LDHA (0.42) | NPC1RAB9ASMN1; SMN2TP53GABRA5 | |
| SCHEMBL2273188 | 0.75 | LDHA (0.44) | NPC1RAB9ASMN1; SMN2GABRA5CTRC | |
| SCHEMBL3068918 | 0.73 | CYP2C9 (0.52) | NPC1RAB9ASMN1; SMN2TP53GABRA5 | |
| SCHEMBL3657654 | 0.73 | NPC1 (0.36) | NPC1RAB9ASMN1; SMN2TP53GABRA5 | |
| SCHEMBL2760957 | 0.72 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53LDHA | |
| SCHEMBL22395356 | 0.72 | RXRA (0.47) | CTRCLDHACYP2C9P2RX3 | |
| SCHEMBL2949623 | 0.71 | LDHA (0.61) | NPC1RAB9ASMN1; SMN2TP53CTRC | |
| SCHEMBL357773 | 0.70 | ALDH1A1 (0.39) | SMN1; SMN2TP53GABRA5GRIA2LDHA | |
| SCHEMBL17185972 | 0.68 | LMNA (0.37) | NPC1RAB9ASMN1; SMN2TP53MAPT |
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 |