Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12199461 | 0.74 | CYP3A4 (0.38) | TSHRCYP1A2CYP2D6 | |
| SCHEMBL21165081 | 0.74 | EPHX1 (0.38) | TSHRCYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL14479727 | 0.74 | SIGMAR1 (0.34) | — | |
| SCHEMBL14627615 | 0.72 | DPP4 (0.45) | TSHRCYP1A2CYP2D6 | |
| SCHEMBL3469048 | 0.72 | DPP4 (0.45) | TSHRCYP1A2CYP2D6 | |
| SCHEMBL13077266 | 0.72 | DPP4 (0.45) | TSHRCYP1A2CYP2D6 | |
| SCHEMBL5948196 | 0.71 | HRH1 (0.43) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2738406 | 0.70 | KDM4E (0.43) | — | |
| SCHEMBL12637382 | 0.70 | GPR84 (0.33) | CYP2D6 | |
| SCHEMBL20311848 | 0.70 | AOC3 (0.33) | TSHRCYP1A2CYP2C9CYP2C19 |
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-2012078633-A2 | METHODS OF INHIBITING METASTASIS FROM CANCER | PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) | 2012-06-14 | — | — | WO | disclosed |