Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10192673 | 0.89 | NPC1 (0.56) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL10874779 | 0.88 | NPC1 (0.68) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL10192674 | 0.85 | NPC1 (0.64) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL9686398 | 0.83 | NPC1 (0.74) | NPC1RAB9ASMN1; SMN2ALDH1A1CASP3 | |
| SCHEMBL5056843 | 0.81 | CYP2C19 (0.60) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL5241284 | 0.81 | RAB9A (0.55) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL27567788 | 0.80 | CYP1A2 (0.63) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL11092094 | 0.79 | NPC1 (0.56) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL27523120 | 0.78 | CYP1A2 (0.60) | NPC1RAB9ACYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL2233522 | 0.78 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |