Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.36 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14920652 | 0.81 | RAF1 (0.33) | MEN1KMT2ACYP3A4RHEBNPC1 | |
| SCHEMBL14920471 | 0.80 | PARP10 (0.37) | CYP3A4RHEBCHEK2ALDH1A1TDP1 | |
| SCHEMBL14920886 | 0.79 | PARP10 (0.43) | KMT2ARHEBKDM4ECHEK2ALDH1A1 | |
| SCHEMBL14920130 | 0.79 | RHEB (0.44) | MEN1KMT2ARHEBTDP1HTT | |
| SCHEMBL14920397 | 0.76 | MET (0.31) | — | |
| SCHEMBL14920790 | 0.75 | PTPN7 (0.41) | MEN1KMT2ANPC1PKMCHEK2 | |
| SCHEMBL14920644 | 0.74 | MAPT (0.37) | KCNH2 | |
| SCHEMBL16117170 | 0.73 | — | — | |
| SCHEMBL16117169 | 0.73 | — | — | |
| SCHEMBL14920631 | 0.73 | KDM4E (0.37) | KMT2AKDM4ENPC1RAB9AGAA |
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-2773613-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | Astex Therapeutics Limited (GB) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064538-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-10 | — | — | WO | disclosed |