Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27878050 | 0.93 | CYP19A1 (0.41) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL27555132 | 0.86 | GAA (0.38) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL22414016 | 0.85 | CA1 (0.39) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL7218815 | 0.85 | CA2 (0.45) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL21228846 | 0.80 | CYP19A1 (0.38) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL12410085 | 0.80 | CYP19A1 (0.38) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL12410117 | 0.79 | CYP19A1 (0.37) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL12473296 | 0.79 | CHRNB2 (0.40) | CYP19A1CA1CA2CA12CA9 | |
| SCHEMBL27622648 | 0.79 | NAAA (0.37) | TDP1MAPK1 | |
| SCHEMBL17468967 | 0.78 | CYP19A1 (0.44) | CYP19A1CA1CA2CA12CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011535-B | Tripentyl esters of trimellitic acid | 赢创德固赛有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-110078971-A | Three amyl esters of trimellitic acid | 赢创德固赛有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-107011535-B | Tripentyl esters of trimellitic acid | 赢创德固赛有限公司 | 2019-05-21 | — | — | CN | disclosed |