Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14872338 | 0.78 | CYP1A1 (0.33) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL18138710 | 0.76 | GLRA3 (0.42) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL8979354 | 0.75 | KDM4E (0.48) | AKR1C2AKR1C1ALDH1A1MEN1KMT2A | |
| SCHEMBL21972198 | 0.75 | PTGS1 (0.43) | AKR1C2AKR1C1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL5671303 | 0.75 | AKR1C4 (0.61) | AKR1C2AKR1C1ALDH1A1MEN1KMT2A | |
| SCHEMBL28869089 | 0.74 | TSHR (0.57) | AKR1C2AKR1C1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL1783561 | 0.74 | ALDH1A1 (0.57) | AKR1C2AKR1C1ALDH1A1MEN1KMT2A | |
| SCHEMBL27610170 | 0.73 | TTR (0.54) | AKR1C2AKR1C1ALDH1A1MEN1KMT2A | |
| SCHEMBL9349821 | 0.73 | HMGB1 (0.53) | AKR1C2AKR1C1ALDH1A1MEN1KMT2A | |
| SCHEMBL28217274 | 0.72 | MEN1 (0.45) | AKR1C2AKR1C1PTGS2ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137509-B | Pyrrole, oxadiazole, triazole or tetrazole derivatives suitable for controlling arthropods | 拜耳作物科学股份公司 | 2021-03-19 | — | — | CN | disclosed |