Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | FABP2 | P12104 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952912 | 0.82 | ADRB2 (0.36) | SHBGCYP1A2 | |
| SCHEMBL16956196 | 0.82 | FFAR1 (0.37) | CYP1A2MAPTCYP2C9CYP2C19PSEN1 | |
| SCHEMBL16954965 | 0.82 | AKR1C3 (0.41) | SHBGAKR1C3AKR1C2PTGS1MEN1 | |
| SCHEMBL16956476 | 0.82 | ADRB2 (0.36) | ADRA2BADRB1ADRA2AADRB3ADRA2C | |
| SCHEMBL16958085 | 0.82 | SLC6A2 (0.46) | MEN1KMT2ATSHRHTTLMNA | |
| SCHEMBL16955977 | 0.82 | SHBG (0.31) | SHBG | |
| SCHEMBL16950957 | 0.82 | TRPV3 (0.35) | SHBGADRA2BADRB1ADRA2AADRB3 | |
| SCHEMBL16959859 | 0.81 | CES2 (0.39) | CES2CES1PDPK1MMESHBG | |
| SCHEMBL16950566 | 0.80 | SHBG (0.36) | PDPK1SHBGADRA2BAKR1C3AKR1C2 | |
| SCHEMBL16954223 | 0.80 | PTGS1 (0.33) | PDPK1SHBGADRA2BAKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |