Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890658 | 0.88 | PTGS2 (0.40) | PTGS1PTGS2TSHRALDH1A1CYP1A2 | |
| SCHEMBL8891108 | 0.88 | NR3C1 (0.32) | CA1CA2CA9PTGS1PTGS2 | |
| SCHEMBL8891167 | 0.88 | PTGDR2 (0.33) | CA1CA2CA9PTGS1PTGS2 | |
| SCHEMBL8889920 | 0.87 | EPHX2 (0.36) | PTGS2ALDH1A1MAPT | |
| SCHEMBL8889700 | 0.86 | TSHR (0.42) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8890477 | 0.86 | NR3C1 (0.38) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8890712 | 0.86 | KDM4E (0.34) | PTGS1PTGS2TDP1TAS1R3TAS1R1 | |
| SCHEMBL8889606 | 0.85 | TSHR (0.34) | CA1CA2CA9TSHRALDH1A1 | |
| SCHEMBL8891685 | 0.85 | PTGS2 (0.38) | PTGS1PTGS2 | |
| SCHEMBL8890896 | 0.84 | TBXA2R (0.41) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997028136-A1 | BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-07 | — | — | WO | disclosed |