Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1489067 | 0.92 | S1PR1 (0.49) | S1PR1S1PR3BCHEALDH1A1HPGD | |
| SCHEMBL1489212 | 0.91 | S1PR1 (0.51) | S1PR1S1PR3ALDH1A1HPGDCYP1A2 | |
| SCHEMBL1489113 | 0.89 | S1PR1 (0.55) | S1PR1S1PR3ALDH1A1HPGDATM | |
| SCHEMBL12779879 | 0.87 | S1PR1 (0.62) | S1PR1S1PR3ALDH1A1HPGD | |
| SCHEMBL1489747 | 0.87 | S1PR1 (0.49) | S1PR1S1PR3ALDH1A1 | |
| SCHEMBL1489001 | 0.82 | S1PR1 (0.51) | S1PR1S1PR3ALDH1A1HPGDCYP1A2 | |
| SCHEMBL1488671 | 0.82 | S1PR1 (0.43) | S1PR1S1PR3ALDH1A1HPGDNPC1 | |
| SCHEMBL1489933 | 0.81 | S1PR1 (0.56) | S1PR1S1PR3ALDH1A1ATMRAB9A | |
| SCHEMBL1965511 | 0.81 | S1PR1 (0.58) | S1PR1S1PR3ALDH1A1HPGDCYP1A2 | |
| SCHEMBL1489207 | 0.80 | S1PR1 (0.55) | S1PR1S1PR3ALDH1A1HPGDNPC1 |
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-2011035900-A1 | NEW THIADIAZOLE DERIVATIVES | ALMIRALL, S.A. (ES) | 2011-03-31 | — | — | WO | disclosed |