Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5219473 | 0.90 | GNAO1 (0.38) | KDM4ECYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL5212276 | 0.86 | IKBKB (0.32) | HTR4GNAI3GNAO1GNAI1 | |
| SCHEMBL5213847 | 0.86 | ALDH1A1 (0.31) | HTR4ALDH1A1 | |
| SCHEMBL5216525 | 0.86 | CYP2D6 (0.33) | KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5216238 | 0.86 | KDM4E (0.33) | KDM4EKMT2AHTR4 | |
| SCHEMBL5219348 | 0.83 | KDM4E (0.39) | KDM4E | |
| SCHEMBL5215519 | 0.83 | HTR4 (0.33) | HTR4 | |
| SCHEMBL5216607 | 0.82 | GNAO1 (0.36) | KDM4ECYP1A2CYP2D6CYP2C19HTR4 | |
| SCHEMBL5218969 | 0.82 | HTR4 (0.35) | KDM4ECYP1A2CYP2D6CYP2C19KMT2A | |
| SCHEMBL5215923 | 0.81 | LMNA (0.38) | CYP1A2HTR4ALDH1A1 |
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-1112270-B1 | DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |
| EP-1112270-B1 | DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |