Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4304995 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4304270 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4311981 | 0.83 | LMNA (0.44) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4306435 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4308531 | 0.81 | LMNA (0.43) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4305907 | 0.78 | LMNA (0.38) | LMNAALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL4306412 | 0.76 | KMT2A (0.42) | LMNAALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL4301399 | 0.74 | CYP1A2 (0.34) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL4305689 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2C19LMNAALDH1A1KDM4E | |
| SCHEMBL16320824 | 0.72 | ALDH1A1 (0.42) | CYP1A2CYP2C19LMNAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |