Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY4R | P50391 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7464917 | 0.83 | ESR1 (0.39) | ESR1ESR2ADRB2ADRB1ADRB3 | |
| SCHEMBL8554439 | 0.80 | SMN1; SMN2 (0.49) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL7472114 | 0.77 | PRSS1 (0.38) | ESR1ESR2ADRB2ADRB1ADRB3 | |
| SCHEMBL7467555 | 0.76 | ESR1 (0.41) | ESR1ESR2ADRB2ADRB1ADRB3 | |
| SCHEMBL7269720 | 0.74 | SYK (0.46) | ESR1ESR2CTSSCTSKMIF | |
| SCHEMBL6069806 | 0.73 | ESR1 (0.58) | ESR1ESR2CTSSCTSKMAPK1 | |
| SCHEMBL25634884 | 0.72 | NOS1 (0.35) | CTSKCA12CA1CA2CA7 | |
| SCHEMBL11525093 | 0.72 | KMT2A (0.43) | ESR1ESR2ADRB2ADRB1ADRB3 | |
| Iodide SCHEMBL6179378 | 0.71 | NOS1 (0.35) | CA12CA14 | |
| SCHEMBL7467548 | 0.71 | LY96 (0.53) | ESR1ESR2CTSSCTSKTSHR |
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-0869949-B1 | BENZOXAZINE ANTIMICROBIAL AGENTS | ORTHO MCNEIL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |