Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 12/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20911005 | 0.89 | EPHX1 (0.50) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL13900766 | 0.87 | EPHX1 (0.44) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL7560180 | 0.85 | KMT2A (0.51) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL14423984 | 0.84 | EPHX1 (0.50) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL15225976 | 0.81 | NPSR1 (0.53) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL25860152 | 0.80 | ADRA2A (0.74) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL9547537 | 0.79 | USP2 (0.50) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL3483037 | 0.78 | EPHX1 (0.45) | EPHX1KDM4EALDH1A1ADRA2APDE4A | |
| SCHEMBL19259129 | 0.78 | EPHX1 (0.43) | EPHX1KDM4EALDH1A1CA12CA1 | |
| SCHEMBL17982706 | 0.78 | EPHX1 (0.43) | EPHX1KDM4EALDH1A1CA12CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0781272-B1 | SYNTHESIS OF PENTA-SUBSTITUTED GUANIDINES | SOLUTIA INC (US) | 2002-08-07 | — | — | EP | disclosed |
| US-5696290-A | Synthesis of penta-substituted guanidines | MONSANTO COMPANY (US) | 1997-12-09 | — | — | US | disclosed |
| CN-1164854-A | Novel synthesis of penta-substituted guanidines | MONSANTO CO (US) | 1997-11-12 | — | — | CN | disclosed |
| EP-0781272-A1 | NOVEL SYNTHESIS OF PENTA-SUBSTITUTED GUANIDINES | MONSANTO COMPANY (US) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008469-A1 | NOVEL SYNTHESIS OF PENTA-SUBSTITUTED GUANIDINES | MONSANTO COMPANY (US) | 1996-03-21 | — | — | WO | disclosed |