Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17938444 | 0.87 | NPC1 (0.49) | ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL38654957 | 0.84 | ALDH1A1 (0.58) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL2652361 | 0.84 | ALDH1A1 (0.58) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL28980885 | 0.83 | TP53 (0.56) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL8169851 | 0.82 | TP53 (0.51) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL8839197 | 0.80 | HTT (0.47) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL722641 | 0.80 | HTT (0.53) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL534811 | 0.79 | HTT (0.56) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL31617745 | 0.79 | HTT (0.56) | TP53HTTFOLH1MRGPRX4ALDH1A1 | |
| SCHEMBL19765219 | 0.79 | CYP4F2 (0.50) | ALDH1A1TSHRMAPTKDM4E |
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 |