Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31757292 | 1.00 | TSHR (0.54) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL22219520 | 0.82 | TSHR (0.61) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL22219521 | 0.82 | TSHR (0.61) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL21166605 | 0.82 | TSHR (0.61) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL21166619 | 0.82 | TSHR (0.61) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL22061821 | 0.81 | TSHR (0.62) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL28464749 | 0.80 | TSHR (0.59) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL21158805 | 0.80 | TSHR (0.59) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL28498598 | 0.80 | TSHR (0.59) | TSHRKMT2AMEN1RAB9AGAA | |
| SCHEMBL21166880 | 0.80 | TSHR (0.58) | TSHRKMT2AMEN1RAB9AGAA |
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-2019137381-A1 | PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF | XW LABORATORIES, INC. (CN) | 2019-07-18 | — | — | WO | disclosed |