Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10874779 | 0.79 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10192674 | 0.76 | NPC1 (0.64) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL2529867 | 0.75 | KDM4E (0.56) | NPC1RAB9AMGLLALDH1A1KDM4E | |
| SCHEMBL4650207 | 0.74 | NPC1 (0.58) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL3820448 | 0.74 | ALDH1A1 (0.74) | CASP3RAB9AALDH1A1KDM4EGAA | |
| SCHEMBL7659684 | 0.74 | CASP3 (0.46) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL10192673 | 0.73 | NPC1 (0.56) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL6929631 | 0.73 | NPC1 (0.63) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL5241284 | 0.72 | RAB9A (0.55) | CASP3NPC1RAB9ASMN1; SMN2MGLL | |
| SCHEMBL5056843 | 0.72 | CYP2C19 (0.60) | NPC1RAB9ASMN1; SMN2MGLLALDH1A1 |
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-2046761-A2 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008009750-A2 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2008-01-24 | — | — | WO | disclosed |