Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | NAAA | Q02083 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.50 |
| ▸ | CTSG | P08311 | 2/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | CMA1 | P23946 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL162323 | 0.96 | GAA (0.68) | GAANAAALMNAPOLBHDAC1 | |
| Hydrochloric Acid SCHEMBL3581933 | 0.94 | GAA (0.65) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL11337226 | 0.94 | GAA (0.65) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL11335914 | 0.94 | GAA (0.65) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL11337298 | 0.94 | GAA (0.65) | GAANAAALMNAPOLBHDAC1 | |
| Hydrochloric Acid SCHEMBL27504812 | 0.94 | GAA (0.65) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL4050062 | 0.90 | GAA (0.61) | GAANAAALMNAPOLBHDAC1 | |
| Benzophenone SCHEMBL28338522 | 0.90 | GAA (0.61) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL27934347 | 0.90 | GAA (0.61) | GAANAAALMNAPOLBHDAC1 | |
| SCHEMBL13753313 | 0.88 | ALDH1A1 (0.62) | GAANAAALMNAPOLBHDAC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069901-A4 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | claimed |
| EP-1069901-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | claimed |
| WO-1999051241-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |
| EP-1069901-A4 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-1069901-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051241-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |