Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | PTGES | O14684 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL174818 | 0.84 | NPC1 (0.63) | NPC1RAB9ATAAR1GAASMN1; SMN2 | |
| SCHEMBL4435233 | 0.81 | KMT2A (0.62) | GAAMAPTKMT2A | |
| SCHEMBL25272434 | 0.75 | MGLL (0.49) | GAASMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL25272667 | 0.75 | NCEH1 (0.47) | GAAMAPTMEN1KMT2AMTNR1A | |
| SCHEMBL15339806 | 0.75 | CES2 (0.52) | NPC1RAB9ATAAR1GAASMN1; SMN2 | |
| SCHEMBL8208860 | 0.74 | KMT2A (0.53) | NPC1RAB9AGAAPTGESALOX5 | |
| SCHEMBL11300929 | 0.74 | MEN1 (0.50) | NPC1RAB9AGAAMAPTMEN1 | |
| SCHEMBL2725992 | 0.74 | CES2 (0.51) | NPC1RAB9ATAAR1GAASMN1; SMN2 | |
| SCHEMBL17912813 | 0.73 | CYP11B1 (0.56) | NPC1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL15334134 | 0.73 | NPC1 (0.66) | NPC1RAB9ATAAR1GAASMN1; SMN2 |
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-2424842-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126626-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |