Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4729817 | 0.95 | TSHR (0.43) | CYP3A4CYP2D6CYP2C19TSHRKMT2A | |
| SCHEMBL4732339 | 0.83 | NAMPT (0.38) | — | |
| SCHEMBL4733242 | 0.81 | TDP1 (0.42) | CYP3A4CYP2C19TDP1POLBKMT2A | |
| SCHEMBL4733452 | 0.81 | CNR2 (0.39) | KMT2A | |
| SCHEMBL4732619 | 0.79 | TAAR1 (0.43) | POLBKMT2ANPSR1 | |
| SCHEMBL4731794 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C19TSHRTDP1 | |
| SCHEMBL4731657 | 0.78 | HTR1A (0.38) | — | |
| SCHEMBL4732031 | 0.77 | ALDH1A1 (0.41) | TSHRTDP1KMT2A | |
| SCHEMBL4734310 | 0.77 | AKR1C3 (0.38) | TSHRPOLB | |
| SCHEMBL4730503 | 0.77 | SMN1; SMN2 (0.47) | POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008061029-A1 | ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-05-22 | — | — | WO | claimed |
| WO-2008061029-A1 | ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-05-22 | — | — | WO | disclosed |