Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19208899 | 0.87 | ROCK2 (0.38) | ALOX12EPHX1GAAALDH1A1LMNA | |
| SCHEMBL11954834 | 0.78 | ABCB1 (0.40) | GAAALDH1A1LMNANPSR1SIGMAR1 | |
| SCHEMBL17244833 | 0.76 | ABCB1 (0.38) | ALOX12ALOX15GAAALDH1A1LMNA | |
| SCHEMBL23357726 | 0.76 | ROCK2 (0.37) | ALOX12EPHX1GAALMNANPC1 | |
| SCHEMBL28540908 | 0.76 | S1PR1 (0.36) | ALOX12EPHX1NPC1RAB9AROCK2 | |
| SCHEMBL21873472 | 0.76 | ALOX12 (0.38) | ALOX12EPHX1GAAALDH1A1LMNA | |
| SCHEMBL205843 | 0.71 | ROCK2 (0.38) | ALOX12EPHX1GAAALDH1A1LMNA | |
| SCHEMBL3936464 | 0.71 | ROCK2 (0.35) | ALOX15ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL15660440 | 0.71 | GAA (0.40) | TRPA1ATMALOX12EPHX1GAA | |
| SCHEMBL18529379 | 0.71 | CD44 (0.35) | ALOX12EPHX1GAAROCK2HDAC2 |
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-2017134618-A1 | MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS | UNIVERSITA' DEGLI STUDI DI UDINE (IT) | 2017-08-10 | — | — | WO | disclosed |