Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1958113 | 0.82 | TSHR (0.57) | TSHRCES2CES1CA12CA1 | |
| SCHEMBL3573736 | 0.81 | TSHR (0.49) | TSHRCES2CES1CA12CA1 | |
| SCHEMBL6691675 | 0.78 | TSHR (0.46) | TSHRCES2CES1CA12CA1 | |
| SCHEMBL588042 | 0.76 | CYP4F2 (0.46) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7496480 | 0.76 | TSHR (0.53) | TSHRCES2CES1CA12CA1 | |
| SCHEMBL8309761 | 0.75 | KMT2A (0.43) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8310774 | 0.75 | MEN1 (0.30) | TSHRNPSR1MAPK1 | |
| SCHEMBL3504104 | 0.74 | ALDH1A1 (0.53) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8311418 | 0.74 | TSHR (0.56) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL29037249 | 0.74 | TSHR (0.52) | TSHRCES2CES1CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918056-A1 | Herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-05-26 | — | — | EP | disclosed |
| WO-1999003856-A1 | 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-28 | — | — | WO | disclosed |