Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18901348 | 0.90 | S1PR1 (0.54) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL18901332 | 0.87 | S1PR1 (0.54) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL557673 | 0.84 | S1PR1 (0.59) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL10170274 | 0.83 | S1PR1 (0.52) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL18901333 | 0.83 | S1PR1 (0.53) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL18901335 | 0.83 | S1PR1 (0.53) | S1PR1HDAC4HDAC1HDAC7HDAC6 | |
| SCHEMBL558227 | 0.82 | S1PR1 (0.68) | S1PR1S1PR3S1PR5 | |
| SCHEMBL558155 | 0.82 | S1PR1 (0.61) | S1PR1S1PR3S1PR5 | |
| SCHEMBL558902 | 0.82 | S1PR1 (0.58) | S1PR1S1PR3S1PR5 | |
| SCHEMBL18901343 | 0.82 | S1PR1 (0.52) | S1PR1S1PR3S1PR5 |
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-2414342-B1 | OXADIAZOLE DERIVATIVES | MERCK SERONO SA (CH) | 2017-05-31 | — | — | EP | disclosed |