Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2546499 | 0.84 | PARP1 (0.40) | PARP1DYRK1AMEN1KMT2ACSF1R | |
| SCHEMBL2545355 | 0.68 | NEK1 (0.60) | — | |
| SCHEMBL2549121 | 0.67 | KDM4E (0.57) | PARP1HTTNPSR1CYP1A2SMN1; SMN2 | |
| SCHEMBL2553660 | 0.65 | PARP1 (0.69) | PARP1CYP1A2KDRALDH1A1KDM4E | |
| SCHEMBL3148434 | 0.65 | NPC1 (0.52) | HTTNPSR1SMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL1516053 | 0.64 | NPC1 (0.51) | CYP1A2ACHEALDH1A1KMT2ATSHR | |
| SCHEMBL2547281 | 0.63 | HTT (0.57) | PARP1HTTNPSR1CYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2367094 | 0.62 | PARP1 (0.97) | PARP1KDR | |
| SCHEMBL3148438 | 0.62 | NPC1 (0.49) | HTTALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL2550137 | 0.62 | CSNK2A1 (0.51) | PARP1HTTNPSR1CYP1A2SMN1; SMN2 |
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-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |