Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL78979 | 0.82 | — | — | |
| SCHEMBL3226055 | 0.81 | HSD17B10 (0.72) | KDM4EHSD17B10TSHRALOX15ALDH1A1 | |
| SCHEMBL27988207 | 0.80 | CA12 (0.52) | KDM4ETSHRGAASMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL1669235 | 0.80 | CA12 (0.52) | KDM4ETSHRGAASMN1; SMN2LMNA | |
| SCHEMBL17261221 | 0.80 | KDM4E (0.47) | KDM4EHSD17B10TSHRALOX15ALDH1A1 | |
| SCHEMBL14276888 | 0.79 | SMN1; SMN2 (0.65) | KDM4EHSD17B10TSHRALOX15ALDH1A1 | |
| SCHEMBL2847464 | 0.78 | HSD11B1 (0.49) | KDM4EHSD17B10TSHRALOX15ALDH1A1 | |
| Butane SCHEMBL12470969 | 0.77 | HTT (0.52) | KDM4EHSD17B10TSHRALOX15ALDH1A1 | |
| SCHEMBL951890 | 0.77 | GLA (0.64) | KDM4EHSD17B10ALDH1A1GLAGAA | |
| SCHEMBL11028372 | 0.77 | LTA4H (0.41) | ALOX15ALDH1A1LMNAMAPTKMT2A |
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-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |