Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 17/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4734415 | 0.82 | S1PR1 (0.54) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL14208956 | 0.79 | S1PR1 (0.56) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL4169726 | 0.70 | S1PR1 (1.00) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL4164349 | 0.70 | S1PR1 (1.00) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL13875330 | 0.70 | S1PR1 (1.00) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL13875326 | 0.70 | S1PR1 (0.78) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL14208615 | 0.69 | S1PR1 (0.42) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL14208563 | 0.68 | S1PR1 (0.51) | S1PR1 | |
| SCHEMBL13875327 | 0.68 | S1PR1 (0.71) | S1PR1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL4161985 | 0.68 | S1PR1 (0.73) | S1PR1KMT2ACYP2D6CYP2C19 |
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-2008059238-A1 | BENZENESULFONAMIDE COMPOUNDS AS EDG-1 ANTAGONISTS USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-05-22 | — | — | WO | disclosed |