Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27659183 | 0.91 | ACHE (0.47) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL30147220 | 0.88 | ACHE (0.53) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL7315175 | 0.88 | ACHE (0.45) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL13016730 | 0.84 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10771226 | 0.84 | ACHE (0.44) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL11647498 | 0.84 | ACHE (0.44) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL6268670 | 0.82 | PDE4A (0.52) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL10964685 | 0.78 | ALDH1A1 (0.47) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL11444827 | 0.78 | PBRM1 (0.47) | ALDH1A1TSHRHTTLMNASMN1; SMN2 | |
| SCHEMBL1640442 | 0.78 | ALDH1A1 (0.48) | ACHEALDH1A1TSHRRAB9AHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5097058-A | Process for the synthesis of the α-(-methyl-ethyl)-3,4-dimethoxybenzene-acetonitrile | ALFA WASSERMANN S.P.A. (IT) | 1992-03-17 | — | — | US | disclosed |