Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9264472 | 1.00 | ERBB2 (0.48) | ERBB2NPC1RAB9APIM1ALOX5 | |
| SCHEMBL9435134 | 0.89 | CYP1A2 (0.44) | NPC1RAB9AMAOAMAOBLMNA | |
| SCHEMBL9435124 | 0.89 | CYP1A2 (0.44) | NPC1RAB9AMAOAMAOBLMNA | |
| SCHEMBL9261041 | 0.84 | SIRT2 (0.42) | NPC1RAB9AMAOAMAOBLMNA | |
| SCHEMBL9261050 | 0.84 | SIRT2 (0.42) | NPC1RAB9AMAOAMAOBLMNA | |
| SCHEMBL9182821 | 0.83 | NFE2L2 (0.47) | NPC1RAB9AALOX5PTGS2MAOA | |
| SCHEMBL9259501 | 0.83 | MAOB (0.47) | NPC1RAB9APIM1MAOAMAOB | |
| SCHEMBL9182812 | 0.83 | NFE2L2 (0.47) | NPC1RAB9AALOX5PTGS2MAOA | |
| SCHEMBL9259510 | 0.83 | MAOB (0.47) | NPC1RAB9APIM1MAOAMAOB | |
| SCHEMBL9435003 | 0.82 | PIM1 (0.48) | NPC1RAB9APIM1ALOX5MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | claimed |
| EP-0672036-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994004513-A1 | PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES | XENOVA LIMITED (GB) | 1994-03-03 | — | — | WO | disclosed |