Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | B3GNT2 | Q9NY97 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16634626 | 0.81 | HSP90AA1 (0.54) | AURKAKDM4ESMN1; SMN2B3GNT2HSP90AA1 | |
| SCHEMBL16634859 | 0.80 | AURKA (0.44) | AURKAKDM4ESMN1; SMN2KMT2AMEN1 | |
| SCHEMBL16634724 | 0.77 | TGFBR1 (0.47) | AURKAKDM4ESMN1; SMN2B3GNT2HSP90AA1 | |
| SCHEMBL16634719 | 0.72 | AURKA (0.37) | AURKAKDM4ESMN1; SMN2KMT2AB3GNT2 | |
| SCHEMBL16634679 | 0.72 | RORC (0.46) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16634734 | 0.72 | DAO (0.50) | AURKAKDM4ESMN1; SMN2B3GNT2CYP3A4 | |
| SCHEMBL6840233 | 0.71 | AURKA (0.52) | AURKAKDM4ESMN1; SMN2KMT2AB3GNT2 | |
| SCHEMBL702708 | 0.70 | AURKA (0.54) | AURKAKDM4ESMN1; SMN2KMT2AMEN1 | |
| SCHEMBL16634608 | 0.70 | RORC (0.47) | AURKAKDM4ESMN1; SMN2CYP2C9 | |
| SCHEMBL4141690 | 0.70 | HSP90AA1 (0.48) | AURKAKDM4ESMN1; SMN2KMT2AB3GNT2 |
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-2015052675-A1 | SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-16 | — | — | WO | disclosed |