Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A3 | P48764 | 7/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL978341 | 0.83 | SLC9A3 (0.42) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL980548 | 0.82 | SLC6A2 (0.49) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL979354 | 0.82 | SLC9A3 (0.45) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL12922747 | 0.82 | SLC9A3 (0.45) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| Hydrochloric Acid SCHEMBL979108 | 0.81 | SLC9A3 (0.44) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL980784 | 0.73 | SLC9A3 (0.48) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL980370 | 0.73 | SLC9A3 (0.48) | SLC9A3 | |
| SCHEMBL980783 | 0.73 | SLC9A3 (0.48) | SLC9A3SLC6A2SLC6A4SLC6A3DRD1 | |
| SCHEMBL979070 | 0.73 | SLC9A3 (0.50) | SLC9A3 | |
| SCHEMBL979067 | 0.73 | SLC9A3 (0.50) | SLC9A3 |
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-1838315-A1 | SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM | sanofi-aventis (FR) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006074813-A1 | SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM | SANOFI-AVENTIS (DE) | 2006-07-20 | — | — | WO | disclosed |