Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.61 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847986 | 0.81 | ALDH1A1 (0.42) | PHF8KDM2AALDH1A1CES2CES1 | |
| SCHEMBL3263226 | 0.78 | PHF8 (0.61) | PHF8KDM2AALDH1A1HDAC3HDAC1 | |
| SCHEMBL2387300 | 0.78 | ALDH1A1 (0.44) | PHF8KDM2AALDH1A1CES2CES1 | |
| SCHEMBL3260392 | 0.77 | PHF8 (0.48) | PHF8KDM2AALDH1A1CTSD | |
| SCHEMBL14032784 | 0.77 | ALDH1A1 (0.48) | PHF8KDM2AALDH1A1CES2CES1 | |
| SCHEMBL139743 | 0.77 | — | — | |
| SCHEMBL4774587 | 0.77 | — | — | |
| SCHEMBL1801852 | 0.76 | ALDH1A1 (0.42) | PHF8KDM2AALDH1A1CES2CES1 | |
| Hydrochloric Acid SCHEMBL8373771 | 0.74 | ALDH1A1 (0.67) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Bromide SCHEMBL8373855 | 0.74 | ALDH1A1 (0.67) | ALDH1A1CES2CES1HDAC3HDAC1 |
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-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 |