Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PDE1A | P54750 | 6/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 6/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 6/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30988 | 0.79 | MAPT (0.38) | SMN1; SMN2HPGDMAPTNPC1RAB9A | |
| SCHEMBL7455962 | 0.72 | NTRK1 (0.37) | SMN1; SMN2MAPTNPC1RAB9ANOS3 | |
| SCHEMBL1205377 | 0.71 | AKT1 (0.37) | AKT1AKT2NPC1RAB9AMEN1 | |
| SCHEMBL1818321 | 0.71 | NPC1 (0.44) | SMN1; SMN2MAPTNPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL461580 | 0.69 | NPC1 (0.42) | SMN1; SMN2MAPTNPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL8156881 | 0.69 | NPC1 (0.42) | SMN1; SMN2MAPTNPC1RAB9AKDM4E | |
| SCHEMBL1204188 | 0.68 | F2R (0.34) | AKT1AKT2 | |
| SCHEMBL30579405 | 0.66 | NPC1 (0.40) | SMN1; SMN2MAPTNPC1RAB9AKDM4E | |
| SCHEMBL25317207 | 0.66 | NOS2 (0.42) | SMN1; SMN2MAPTNPC1RAB9ATSHR | |
| SCHEMBL1204065 | 0.65 | CSNK1D (0.32) | ALDH1A1MEN1KMT2A |
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-2608668-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027234-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |