Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | DUT | P33316 | 1/20 | 0.31 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4301399 | 0.91 | CYP1A2 (0.34) | MCL1CYP1A2CYP2C19MAOBLMNA | |
| SCHEMBL4302813 | 0.85 | ALDH1A1 (0.35) | CYP1A2CYP2C19NPC1KDM4EALDH1A1 | |
| SCHEMBL4304235 | 0.85 | MAPT (0.37) | LMNAKDM4EALDH1A1TP53 | |
| SCHEMBL4303399 | 0.82 | LMNA (0.37) | LMNAKDM4EALDH1A1 | |
| SCHEMBL4311072 | 0.78 | MRGPRX4 (0.37) | CYP1A2CYP2C19LMNANPC1ALDH1A1 | |
| SCHEMBL4305689 | 0.76 | CYP1A2 (0.43) | CYP1A2CYP2C19LMNAKDM4EALDH1A1 | |
| SCHEMBL4304477 | 0.76 | TP53BP1 (0.38) | NPC1KDM4EALDH1A1 | |
| SCHEMBL31246228 | 0.74 | MAPT (0.44) | CYP1A2CYP2C19LMNANPC1KDM4E | |
| SCHEMBL4304995 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2C19LMNANPC1KDM4E | |
| SCHEMBL6420140 | 0.69 | S1PR4 (0.47) | CYP1A2CYP2C19LMNANPC1KDM4E |
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-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |