Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2131457 | 1.00 | S1PR1 (0.34) | S1PR1TP53LMNARXFP1IDO1 | |
| SCHEMBL2131453 | 0.93 | S1PR1 (0.34) | S1PR1TP53LMNAIDO1AAK1 | |
| SCHEMBL2131448 | 0.93 | S1PR1 (0.34) | S1PR1TP53LMNAIDO1AAK1 | |
| SCHEMBL2130026 | 0.93 | AAK1 (0.34) | S1PR1IDO1AAK1 | |
| SCHEMBL2130036 | 0.93 | AAK1 (0.34) | S1PR1IDO1AAK1 | |
| SCHEMBL2130444 | 0.90 | S1PR1 (0.46) | S1PR1AAK1MAPTMAOBALDH1A1 | |
| SCHEMBL2130450 | 0.90 | S1PR1 (0.46) | S1PR1AAK1MAPTMAOBALDH1A1 | |
| SCHEMBL2128187 | 0.89 | IDO1 (0.37) | S1PR1TP53LMNARXFP1IDO1 | |
| SCHEMBL2128182 | 0.89 | IDO1 (0.37) | S1PR1TP53LMNARXFP1IDO1 | |
| SCHEMBL2130419 | 0.83 | S1PR1 (0.35) | S1PR1IDO1AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2452944-A1 | DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2012-05-16 | — | — | EP | disclosed |