Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14765019 | 0.81 | KDM4E (0.50) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL15941853 | 0.81 | CYP1A1 (0.52) | ITKKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL15941733 | 0.79 | DAO (0.38) | ITKKDM4ECYP1A2CYP2C19RET | |
| SCHEMBL14765132 | 0.78 | RAB9A (0.56) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL2876288 | 0.76 | ITK (0.60) | ITKNPC1RAB9AGSK3BAOC3 | |
| SCHEMBL15951368 | 0.75 | ITK (0.43) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL4125890 | 0.73 | ITK (0.54) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL9469830 | 0.73 | RAB9A (0.58) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL5249228 | 0.73 | GSK3B (0.48) | ITKNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL1900577 | 0.71 | ITK (0.54) | ITKNPC1RAB9AKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2953461-B1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2020-04-22 | — | — | EP | disclosed |