Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL19112012 | 0.87 | HDAC8 (0.50) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL26498861 | 0.79 | HDAC3 (0.45) | TSHRCA1CA2GSK3BL3MBTL1 | |
| SCHEMBL16729457 | 0.78 | CES2 (0.54) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL3822405 | 0.78 | CES2 (0.54) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL14879110 | 0.78 | CES2 (0.61) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL14997458 | 0.77 | TSHR (0.63) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL10363133 | 0.76 | CES2 (0.52) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL10363134 | 0.76 | CES2 (0.52) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL17733133 | 0.75 | HDAC3 (0.47) | TSHRCA1CA2MAPK1ALDH1A1 | |
| SCHEMBL4793883 | 0.75 | CES2 (0.56) | CES2CES1CA1CA2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016034671-A1 | AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS | CTXT PTY LTD (AU) | 2016-03-10 | — | — | WO | disclosed |