Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 14/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20852322 | 0.85 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL17340623 | 0.85 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL15705171 | 0.84 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL17850187 | 0.84 | BACE1 (0.56) | SMN1; SMN2BACE1BACE2KCNH2CTSD | |
| SCHEMBL15443905 | 0.83 | BACE1 (0.63) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL17850172 | 0.83 | BACE1 (0.57) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL20852323 | 0.82 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL19316428 | 0.82 | BACE1 (0.60) | NPC1RAB9ASMN1; SMN2BACE1BACE2 | |
| SCHEMBL20852274 | 0.81 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6934432 | 0.81 | SMN1; SMN2 (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2855469-B1 | 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-06-19 | — | — | EP | disclosed |
| EP-2305672-B1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING ß-SECRETASE-INHIBITING ACTIVITY | SHIONOGI & CO (JP) | 2019-03-27 | — | — | EP | disclosed |
| EP-2694489-B1 | C5-C6 OXACYCLIC-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-09-06 | — | — | EP | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |