Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
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 | 0.94 | ACHE (0.47) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL9650823 | 0.88 | ACHE (0.49) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL30147220 | 0.83 | ACHE (0.53) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL27107627 | 0.79 | NR1I2 (0.50) | HTTLMNAMAPK1PPARGPPARD | |
| SCHEMBL2802608 | 0.79 | PDE4D (0.56) | ACHETSHRSMN1; SMN2PPARGPPARD | |
| SCHEMBL10771226 | 0.79 | ACHE (0.44) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL30167310 | 0.79 | KMT2A (0.43) | L3MBTL1KMT2A | |
| SCHEMBL7311626 | 0.79 | KMT2A (0.43) | L3MBTL1KMT2A | |
| SCHEMBL11647498 | 0.79 | ACHE (0.44) | ACHEALDH1A1TSHRRAB9AHTT | |
| SCHEMBL12898700 | 0.78 | SLC2A1 (0.54) | ACHEHTTLMNAMAPK1PPARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4438131-A | CARDIOVASCULAR DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 1984-03-20 | — | — | US | disclosed |
| US-4418017-A | Preparation of phenylacetonitriles carrying basic substituents | BASF AKTIENGESELLSCHAFT (DE) | 1983-11-29 | — | — | US | disclosed |
| EP-0066246-A2 | Process for the preparation of basically substituted phenyl acetonitriles | BASF Aktiengesellschaft (DE) | 1982-12-08 | — | — | EP | disclosed |
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | disclosed |