Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18731318 | 0.75 | HTT (0.44) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL17236510 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL19861950 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL1105467 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL21564657 | 0.74 | CA2 (0.35) | PHGDHCA12CA1CA9CA2 | |
| SCHEMBL19494552 | 0.74 | HTT (0.39) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL22963103 | 0.72 | CYP2D6 (0.33) | TSHR | |
| SCHEMBL21253643 | 0.71 | HTT (0.37) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL17393247 | 0.70 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTTSHRALDH1A1PDK1 | |
| SCHEMBL20706312 | 0.70 | SMN1; SMN2 (0.45) | SMN1; SMN2HTTTSHRALDH1A1PDK1 |
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-2018060174-A1 | SUBSTITUTED BENZIMIDAZOLES, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE OF SAME TO PRODUCE DRUGS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-04-05 | — | — | WO | disclosed |