Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL44462 | 0.74 | — | — | |
| SCHEMBL18429051 | 0.69 | NAMPT (0.51) | — | |
| SCHEMBL15577656 | 0.69 | CTSK (0.41) | TSHRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL17475553 | 0.69 | KMT2A (0.45) | TSHRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL4204403 | 0.68 | EPHX2 (0.57) | CYP1A2USP2POLBSMN1; SMN2EPHX2 | |
| SCHEMBL44691 | 0.68 | HDAC4 (0.35) | — | |
| SCHEMBL4017999 | 0.66 | IGF1R (0.44) | CYP1A2CYP2D6CYP2C19MAPTPOLB | |
| SCHEMBL4013192 | 0.66 | EPHX2 (0.44) | CYP1A2CYP2D6CYP2C19MAPTPOLB | |
| SCHEMBL21229056 | 0.65 | NAMPT (0.38) | TSHRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL6404146 | 0.65 | EPHX2 (0.43) | CYP1A2MAPTPOLBSMN1; SMN2L3MBTL1 |
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-2008011557-A2 | HETEROARYL INHIBITORS OF RHO KINASE | BORCHARDT ALLEN J (US) | 2008-01-24 | — | — | WO | disclosed |