Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10907609 | 1.00 | CYP1A2 (0.42) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| SCHEMBL1193728 | 1.00 | CYP1A2 (0.42) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| SCHEMBL11023529 | 0.89 | ESR1 (0.37) | CYP3A4TBXAS1CYP2D6 | |
| SCHEMBL30705332 | 0.89 | KDM1A (0.44) | CYP1A2TBXAS1KDM1ACES2CES1 | |
| SCHEMBL1053053 | 0.88 | TBXAS1 (0.45) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| SCHEMBL1053054 | 0.88 | TBXAS1 (0.45) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| SCHEMBL21462939 | 0.88 | TBXAS1 (0.45) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| Styrene SCHEMBL10437141 | 0.88 | ALDH1A1 (0.47) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| Styrene SCHEMBL10437143 | 0.88 | ALDH1A1 (0.47) | CYP1A2ALDH1A1CYP3A4TSHRTBXAS1 | |
| SCHEMBL2768533 | 0.86 | TBXAS1 (0.48) | TBXAS1CES2CES1PTGS2 |
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-3903581-A1 | USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I | BASF SE (DE) | 2021-11-03 | — | — | EP | disclosed |
| CN-110903172-B | Method for stereoselectively synthesizing (E) -tri-substituted olefin | 温州大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-110903172-A | Method for stereoselectively synthesizing (E) -tri-substituted olefin | 温州大学 | 2020-03-24 | — | — | CN | disclosed |
| US-5049685-A | Nuclear substituted salicylic acids and their salts | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 1991-09-17 | — | — | US | disclosed |