Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 2/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL174317 | 1.00 | S1PR4 (0.49) | S1PR4S1PR1S1PR5S1PR3GAA | |
| SCHEMBL162177 | 0.91 | S1PR4 (0.49) | S1PR4S1PR1S1PR5S1PR3GAA | |
| SCHEMBL174329 | 0.91 | S1PR4 (0.49) | S1PR4S1PR1S1PR5S1PR3GAA | |
| SCHEMBL6370573 | 0.82 | RAB9A (0.60) | GAAKDM4ECA12CA1CA2 | |
| SCHEMBL161998 | 0.80 | NPC1 (0.56) | GAAKDM4ECA12CA1CA2 | |
| SCHEMBL162121 | 0.80 | NPC1 (0.56) | GAAKDM4ECA12CA1CA2 | |
| SCHEMBL15021866 | 0.79 | HDAC4 (0.51) | S1PR4S1PR1S1PR5GAAKDM4E | |
| SCHEMBL174631 | 0.79 | KMT2A (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL163930 | 0.79 | HDAC4 (0.51) | S1PR4S1PR1S1PR5GAAKDM4E | |
| SCHEMBL171022 | 0.78 | CA12 (0.56) | S1PR1S1PR5CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611783-A2 | HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS | Piramal Enterprises Limited (IN) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012029032-A2 | HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-03-08 | — | — | WO | disclosed |