Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.81 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.46 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.42 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13665400 | 1.00 | S1PR1 (0.81) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| SCHEMBL13665540 | 1.00 | S1PR1 (0.81) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| SCHEMBL2468253 | 0.89 | S1PR1 (1.00) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Amiselimod SCHEMBL29691985 | 0.89 | S1PR1 (1.00) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Amiselimod SCHEMBL2463680 | 0.89 | S1PR1 (1.00) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| SCHEMBL12336974 | 0.89 | S1PR1 (1.00) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Hydrochloric Acid SCHEMBL2462139 | 0.88 | S1PR1 (0.98) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Amiselimod SCHEMBL2463915 | 0.88 | S1PR1 (0.98) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Hydrochloric Acid SCHEMBL2465803 | 0.88 | S1PR1 (0.98) | S1PR1S1PR3TNNC1SGPL1S1PR4 | |
| Amiselimod SCHEMBL30029360 | 0.88 | S1PR1 (0.98) | S1PR1S1PR3TNNC1SGPL1S1PR4 |
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-2009119858-A1 | BENZENE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES | 田辺三菱製薬株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |