Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17028760 | 0.87 | GPR3 (0.38) | ALDH1A1LMNARIPK1MAOB | |
| SCHEMBL17028761 | 0.87 | GPR3 (0.38) | ALDH1A1LMNARIPK1MAOB | |
| SCHEMBL620590 | 0.87 | GPR3 (0.38) | ALDH1A1LMNARIPK1MAOB | |
| SCHEMBL15867596 | 0.82 | PPARG (0.31) | — | |
| SCHEMBL15994995 | 0.80 | RIPK1 (0.35) | RIPK1 | |
| SCHEMBL17749309 | 0.80 | RIPK1 (0.35) | RIPK1 | |
| SCHEMBL15994994 | 0.80 | RIPK1 (0.35) | RIPK1 | |
| SCHEMBL30681392 | 0.76 | GPR3 (0.30) | — | |
| SCHEMBL2582230 | 0.75 | TAAR1 (0.40) | RIPK1MAOBKMT2AMEN1 | |
| SCHEMBL15994452 | 0.73 | P2RX7 (0.31) | — |
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-3107897-A1 | 2-AMINO-3, 5, 5-TRIFLUORO-3, 4, 5, 6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE | H. Lundbeck A/S (DK) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015124576-A1 | 2-AMINO-3, 5, 5-TRIFLUORO-3, 4, 5, 6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE | H. LUNDBECK A/S (DK) | 2015-08-27 | — | — | WO | disclosed |