Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL16256575 | 0.83 | ACHE (0.54) | ACHEKDM4EALDH1A1METAP1CA1 | |
| SCHEMBL16256578 | 0.83 | ACHE (0.41) | ACHEALDH1A1METAP1ELANECA1 | |
| SCHEMBL16256577 | 0.82 | ACHE (0.52) | ACHEKDM4EALDH1A1METAP1CA1 | |
| SCHEMBL19071510 | 0.82 | ACHE (0.39) | ACHEELANEESR1ESR2 | |
| SCHEMBL16158067 | 0.79 | ME2 (0.53) | ACHEALDH1A1NPC1HDAC4HDAC2 | |
| SCHEMBL16256574 | 0.77 | ELANE (0.41) | ACHEKDM4EALDH1A1METAP1ELANE | |
| SCHEMBL16256584 | 0.76 | CYP26A1 (0.38) | ACHEALDH1A1METAP1CYP26A1CYP24A1 | |
| SCHEMBL16256582 | 0.75 | CYP26A1 (0.36) | ACHEALDH1A1METAP1ALOX15ALOX12 | |
| SCHEMBL16256611 | 0.74 | ACHE (0.40) | ACHEKDM4EALDH1A1METAP1ELANE | |
| SCHEMBL3860892 | 0.72 | ACHE (1.00) | ACHEMETAP1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8895474-B2 | Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds | SYNGENTA LIMITED (GB) | 2014-11-25 | — | — | US | disclosed |