Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19546495 | 0.82 | HDAC7 (0.45) | USP2TSHRCHRNB2CHRNA4NPSR1 | |
| SCHEMBL1801850 | 0.81 | HDAC8 (0.43) | USP2TSHRHTTNPSR1CYP1A2 | |
| SCHEMBL20715292 | 0.79 | TSHR (0.43) | USP2TSHRCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL18572996 | 0.79 | CA2 (0.41) | CA1CA2 | |
| SCHEMBL20411635 | 0.79 | CA2 (0.41) | CA1CA2 | |
| SCHEMBL20411668 | 0.79 | CA2 (0.41) | CA1CA2 | |
| SCHEMBL22808906 | 0.79 | USP2 (0.34) | USP2TSHRHTTNPSR1 | |
| SCHEMBL24633619 | 0.77 | BMP1 (0.37) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL19634481 | 0.77 | CIT (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20715289 | 0.77 | ALDH1A1 (0.37) | USP2TSHRCHRNB2CHRNA4CHRNB4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3737665-A1 | PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF | XW Laboratories Inc. (KY) | 2020-11-18 | — | — | EP | disclosed |
| WO-2019137381-A1 | PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF | XW LABORATORIES, INC. (CN) | 2019-07-18 | — | — | WO | disclosed |
| CN-107531615-A | Indenyl compound, pharmaceutical composition and medical application thereof | ADT制药有限责任公司 | 2018-01-02 | — | — | CN | disclosed |