Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20651752 | 0.78 | MITF (0.31) | LMNA | |
| SCHEMBL19079905 | 0.78 | RAD52 (0.32) | — | |
| SCHEMBL17624447 | 0.78 | CCR1 (0.35) | HRH4HRH3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19082541 | 0.76 | IKBKB (0.30) | MAPK1IKBKBRAF1RPS6KB1AKT1 | |
| SCHEMBL4825313 | 0.75 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3MAPK1RGS12 | |
| SCHEMBL17624436 | 0.73 | ROCK2 (0.34) | HRH3MAPK1CYP1A2CYP3A4IKBKB | |
| SCHEMBL17624438 | 0.73 | HTR2A (0.41) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL20652026 | 0.73 | DPP8 (0.33) | — | |
| SCHEMBL256364 | 0.70 | IKBKB (0.34) | MAPK1IKBKBRAF1RPS6KB1AKT1 | |
| SCHEMBL6845547 | 0.70 | — | — |
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-2017117447-A1 | MULTICYCLIC COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2017-07-06 | — | — | WO | disclosed |