Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4614582 | 1.00 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ALMNACYP2C19 | |
| SCHEMBL4612566 | 1.00 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ALMNACYP2C19 | |
| SCHEMBL15214943 | 0.83 | CYP2C19 (0.42) | SMN1; SMN2LMNACYP2C19KCNH2TSHR | |
| SCHEMBL15492137 | 0.83 | CYP2C19 (0.42) | SMN1; SMN2LMNACYP2C19KCNH2TSHR | |
| SCHEMBL13072762 | 0.83 | CYP2C19 (0.42) | SMN1; SMN2LMNACYP2C19KCNH2TSHR | |
| SCHEMBL245950 | 0.78 | CYP2C19 (0.43) | SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL4635479 | 0.78 | CYP2C19 (0.43) | SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL245105 | 0.78 | CYP2C19 (0.43) | SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL16189797 | 0.77 | CYP2C19 (0.40) | SMN1; SMN2NPC1RAB9ALMNACYP2C19 | |
| SCHEMBL27823090 | 0.75 | LTA4H (0.41) | SMN1; SMN2NPC1RAB9ALMNALTA4H |
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-1976381-A2 | TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | WAYNE STATE UNIVERSITY (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007082292-A2 | TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | WAYNE STATE UNIVERSITY (US) | 2007-07-19 | — | — | WO | disclosed |