Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 5/20 | 0.34 |
| ▸ | SHMT1 | P34896 | 3/20 | 0.34 |
| ▸ | HPGDS | O60760 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | VHL | P40337 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3009276 | 0.84 | VHL (0.42) | KDM4EALDH1A1SMN1; SMN2VHL | |
| SCHEMBL3014470 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2HRH3 | |
| SCHEMBL30799829 | 0.79 | GHSR (0.37) | — | |
| SCHEMBL9238328 | 0.78 | MBTPS1 (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7676173 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL5880077 | 0.76 | KDM6B (0.40) | KDM4EALDH1A1 | |
| SCHEMBL7471241 | 0.75 | CAPN1 (0.37) | — | |
| SCHEMBL27496719 | 0.75 | PSMB8 (0.32) | — | |
| SCHEMBL10556873 | 0.75 | DPP4 (0.33) | — | |
| SCHEMBL9811844 | 0.75 | CA12 (0.34) | CA12 |
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-1395551-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES | Elan Pharmaceuticals, Inc. (US) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002098849-A2 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |