Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 7/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18686174 | 0.84 | ADRA1A (0.41) | ALDH1A1CNR1DAGLAPOLBRECQL | |
| SCHEMBL24938343 | 0.84 | ADRA1A (0.41) | ALDH1A1CNR1DAGLAPOLBRECQL | |
| SCHEMBL18360387 | 0.84 | CTSK (0.45) | ALDH1A1ACHENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11576980 | 0.83 | ALDH1A1 (0.54) | ALDH1A1ATMACHEPOLBHPGD | |
| SCHEMBL6835404 | 0.81 | NAAA (0.52) | ALDH1A1ATMHPGDNAAANPC1 | |
| SCHEMBL12150098 | 0.81 | ALDH1A1 (0.50) | ALDH1A1ATMACHEHPGDNAAA | |
| SCHEMBL891453 | 0.80 | LMNA (0.47) | ALDH1A1ATMHPGDNAAATSHR | |
| SCHEMBL18915848 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ATMHPGDNAAANPC1 | |
| SCHEMBL17028805 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ATMHPGDNAAANPC1 | |
| SCHEMBL18669026 | 0.78 | ALDH1A1 (0.33) | ALDH1A1CNR1DAGLAPOLB |
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-2017050259-A1 | PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF | XW LABORATORIES INC. (KY) | 2017-03-30 | — | — | WO | disclosed |