Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18363001 | 0.85 | CTRC (0.61) | CTRCMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL28598620 | 0.84 | BCL2L1 (0.50) | CTRCALPLALDH1A1KDM4EMAPT | |
| SCHEMBL30738328 | 0.84 | BCL2L1 (0.50) | CTRCALPLALDH1A1KDM4EMAPT | |
| SCHEMBL16706636 | 0.83 | CTRC (0.66) | CTRCMEN1KMT2AALPLALDH1A1 | |
| SCHEMBL453058 | 0.80 | MEN1 (0.47) | CTRCMEN1KMT2AALPLALDH1A1 | |
| Nitrous Acid SCHEMBL28598619 | 0.79 | CA12 (0.46) | CTRCALPLALDH1A1KDM4EMAPT | |
| SCHEMBL2259170 | 0.77 | CTRC (0.58) | CTRCALPLALDH1A1KDM4EGAA | |
| SCHEMBL10918130 | 0.77 | CTRC (1.00) | CTRCMEN1KMT2AALPLALDH1A1 | |
| SCHEMBL31388676 | 0.75 | CTRC (0.66) | CTRCALDH1A1KDM4EGAASMN1; SMN2 | |
| SCHEMBL7823500 | 0.74 | ALDH1A1 (0.65) | CTRCALPLALDH1A1KDM4EGAA |
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-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 |