Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL8961155 | 0.82 | HCAR2 (0.43) | ALDH1A1HCAR2HDAC3TNKSHDAC4 | |
| Benzene SCHEMBL9028744 | 0.82 | HCAR2 (0.46) | ALDH1A1HCAR2HDAC3TNKSHDAC4 | |
| Toluene SCHEMBL8634132 | 0.81 | LMNA (0.46) | ALDH1A1HCAR2HDAC3TNKSHDAC4 | |
| SCHEMBL9401106 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2ATSHRTDP1THRB | |
| Benzaldehyde SCHEMBL28074031 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP2A6HCAR2HDAC3TNKS | |
| SCHEMBL9120058 | 0.78 | AKR1C3 (0.43) | ALDH1A1HCAR2HDAC3TNKSHDAC4 | |
| Benzaldehyde SCHEMBL27524489 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KMT2ATSHRLMNA | |
| Benzaldehyde SCHEMBL28430047 | 0.77 | ALDH1A1 (0.78) | ALDH1A1CYP2A6KMT2ATSHRLMNA | |
| SCHEMBL1023871 | 0.77 | — | — | |
| SCHEMBL6833025 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544587-B1 | Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1996-05-29 | — | — | EP | disclosed |
| WO-1995030639-A1 | NOVEL β-METHOXY ACRYLIC ACID DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF AS PESTICIDES | HOECHST SCHERING AGREVO S.A. (FR) | 1995-11-16 | — | — | WO | disclosed |
| US-5310746-A | Insecticides, miticides, nematocides | ROUSSEL UCLAF (FR) | 1994-05-10 | — | — | US | disclosed |
| EP-0544587-A1 | Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1993-06-02 | — | — | EP | disclosed |