Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7658141 | 1.00 | ACHE (0.58) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL5740481 | 1.00 | ACHE (0.58) | ACHEALDH1A1TSHRRAB9AHTT | |
| Hydrochloric Acid SCHEMBL5741224 | 0.98 | ACHE (0.56) | ACHEALDH1A1TSHRRAB9AHTT | |
| Hydrochloric Acid SCHEMBL5741216 | 0.98 | ACHE (0.56) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL27547480 | 0.84 | ACHE (0.43) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL31347517 | 0.84 | TUBB4A (0.50) | ACHEALDH1A1TSHRRAB9ALMNA | |
| SCHEMBL7325901 | 0.82 | PDE4A (0.54) | ACHEALDH1A1TSHRRAB9APDE4A | |
| Hydrochloric Acid SCHEMBL7325827 | 0.81 | PDE4A (0.53) | ACHEALDH1A1TSHRRAB9APDE4A | |
| Acetic Acid SCHEMBL2465119 | 0.81 | ALDH1A1 (0.56) | ACHEALDH1A1TSHRHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5742389 | 0.80 | NPC1 (0.50) | ALDH1A1TSHRRAB9ASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | disclosed |