Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ECE1 | P42892 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 3/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM4B | O94953 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20586012 | 1.00 | RAB9A (0.38) | RAB9ANPC1ALDH1A1PKMKDM4E | |
| SCHEMBL20586014 | 1.00 | RAB9A (0.38) | RAB9ANPC1ALDH1A1PKMKDM4E | |
| SCHEMBL20586011 | 1.00 | RAB9A (0.38) | RAB9ANPC1ALDH1A1PKMKDM4E | |
| SCHEMBL29638840 | 0.81 | KDM4E (0.43) | KDM4EHTT | |
| SCHEMBL21137404 | 0.81 | KDM4E (0.43) | KDM4EHTT | |
| SCHEMBL22961287 | 0.73 | ALDH1A1 (0.45) | ALDH1A1PKMKDM4EGAAHTT | |
| SCHEMBL21137403 | 0.73 | ALDH1A1 (0.45) | ALDH1A1PKMKDM4EGAAHTT | |
| SCHEMBL16211689 | 0.72 | MAP3K12 (0.34) | MAP3K12 | |
| Trifluoroacetic Acid SCHEMBL20584909 | 0.71 | SSTR4 (0.38) | RAB9ANPC1KDM4EPOLBGAA | |
| Trifluoroacetic Acid SCHEMBL29638837 | 0.71 | SSTR4 (0.38) | RAB9ANPC1KDM4EPOLBGAA |
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-3638658-A1 | PHARMACEUTICAL COMPOUNDS | Heptares Therapeutics Limited (GB) | 2020-04-22 | — | — | EP | disclosed |
| WO-2018229511-A1 | PHARMACEUTICAL COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2018-12-20 | — | — | WO | disclosed |