Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 17/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL3760963 | 1.00 | S1PR1 (0.40) | S1PR1HDAC8HDAC6S1PR4S1PR5 | |
| SCHEMBL3751149 | 0.88 | ALOX5 (0.43) | S1PR1HDAC6KCNH2NPC1PKM | |
| SCHEMBL3751157 | 0.87 | CYP2D6 (0.45) | S1PR1 | |
| SCHEMBL3761101 | 0.87 | S1PR1 (0.41) | S1PR1S1PR4S1PR5S1PR3KCNH2 | |
| SCHEMBL3750299 | 0.87 | S1PR1 (0.41) | S1PR1S1PR4S1PR5S1PR3NPC1 | |
| SCHEMBL3755464 | 0.87 | S1PR1 (0.41) | S1PR1S1PR4S1PR5S1PR3KCNH2 | |
| SCHEMBL3748523 | 0.87 | S1PR1 (0.41) | S1PR1S1PR4S1PR5S1PR3KCNH2 | |
| SCHEMBL13765565 | 0.87 | S1PR1 (0.41) | S1PR1S1PR4S1PR5S1PR3KCNH2 | |
| SCHEMBL3762551 | 0.87 | S1PR1 (0.43) | S1PR1S1PR4S1PR5S1PR3KCNH2 | |
| SCHEMBL3756948 | 0.86 | S1PR1 (0.45) | S1PR1KCNH2NPC1PKMRAB9A |
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-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |