Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 17/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 4/20 | 0.44 |
| ▸ | TXK | P42681 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.43 |
| ▸ | MARK3 | P27448 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3797852 | 0.93 | ITK (0.50) | ITKKDM4EALDH1A1RXFP1MEN1 | |
| SCHEMBL3799915 | 0.92 | ITK (0.50) | ITKKDM4EALDH1A1RXFP1INSR | |
| SCHEMBL3801786 | 0.92 | ITK (0.46) | ITKKDM4EALDH1A1RXFP1MEN1 | |
| SCHEMBL3800341 | 0.90 | ITK (0.48) | ITKKDM4EALDH1A1RXFP1MEN1 | |
| SCHEMBL3801872 | 0.84 | ITK (0.51) | ITKKDM4EALDH1A1MEN1LMNA | |
| SCHEMBL19236089 | 0.82 | ITK (0.53) | ITKKDM4EALDH1A1MEN1LMNA | |
| SCHEMBL3808813 | 0.80 | ITK (0.59) | ITKKDM4EALDH1A1RXFP1INSR | |
| SCHEMBL3801300 | 0.80 | ITK (0.47) | ITKKDM4EMEN1TSHRKMT2A | |
| SCHEMBL3796215 | 0.78 | ITK (0.54) | ITKKDM4EMEN1LMNATSHR | |
| SCHEMBL13077190 | 0.77 | ITK (0.43) | ITKKDM4EALDH1A1RXFP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010126922-A1 | BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK | GLAXOSMITHKLINE LLC (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010126922-A1 | BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK | GLAXOSMITHKLINE LLC (US) | 2010-11-04 | — | — | WO | disclosed |