Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12544904 | 0.81 | NPC1 (0.38) | NPC1RAB9AHCAR2MAPTRECQL | |
| SCHEMBL22266334 | 0.79 | MAPT (0.36) | NPC1RAB9AHCAR2MAPTRECQL | |
| SCHEMBL2608870 | 0.79 | TRPM8 (0.39) | HCAR2MAPTRECQLCYP2D6SLC6A2 | |
| SCHEMBL20232092 | 0.79 | MAPT (0.36) | HCAR2MAPTRECQLCYP2D6SLC6A2 | |
| SCHEMBL722294 | 0.79 | — | — | |
| SCHEMBL20232097 | 0.78 | MAPT (0.36) | HCAR2MAPTRECQLCYP2D6SLC6A2 | |
| SCHEMBL19510750 | 0.78 | CNR2 (0.37) | HCAR2MAPTRECQLCYP2D6SLC6A2 | |
| SCHEMBL1715595 | 0.78 | — | — | |
| SCHEMBL22266388 | 0.77 | MEN1 (0.37) | NPC1RAB9AHCAR2MAPTRECQL | |
| SCHEMBL19555751 | 0.77 | NPC1 (0.42) | NPC1RAB9AMAPTRECQLCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012081665-A1 | SUBSTANCE CAPABLE OF INHIBITING GLYCINE TRANSPORTER | 大正製薬株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |
| EP-2019825-B9 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2011-01-26 | — | — | EP | disclosed |
| EP-2019825-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2010-09-01 | — | — | EP | disclosed |
| WO-2007131350-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-22 | — | — | WO | disclosed |