Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.55 |
| ▸ | RAD52 | P43351 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9742108 | 0.98 | NAAA (0.53) | NAAARAD52NPSR1CHRM2ADRA2A | |
| SCHEMBL19037385 | 0.82 | KMT2A (0.45) | ACHEALDH1A1KMT2ASMN1; SMN2HSP90AA1 | |
| SCHEMBL12704295 | 0.81 | KMT2A (0.39) | ACHEALDH1A1KMT2AHSP90AA1MEN1 | |
| SCHEMBL17817035 | 0.80 | NAAA (0.50) | NAAARAD52NPSR1TSHRLMNA | |
| SCHEMBL18858466 | 0.79 | CHRM2 (0.65) | RAD52CHRM2ADRA2AADORA3CHRM1 | |
| SCHEMBL4232151 | 0.78 | KMT2A (0.47) | ACHEALDH1A1KMT2ASMN1; SMN2HSP90AA1 | |
| SCHEMBL12419203 | 0.77 | MEN1 (0.48) | NAAARAD52NPSR1TSHRLMNA | |
| Benzene SCHEMBL11441206 | 0.77 | DGKA (0.77) | NAAARAD52NPSR1TSHRLMNA | |
| Hydrochloric Acid SCHEMBL624259 | 0.77 | KMT2A (0.46) | ACHEALDH1A1KMT2ASMN1; SMN2HSP90AA1 | |
| Benzene SCHEMBL9957260 | 0.77 | DGKA (0.77) | NAAARAD52NPSR1TSHRLMNA |
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-0998283-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-10 | — | — | EP | disclosed |
| WO-1998044925-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |