Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.79 |
| ▸ | TSHR | P16473 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.79 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL2952270 | 1.00 | — | — | |
| Toluene SCHEMBL27618301 | 1.00 | ACHE (0.79) | ACHETSHRLMNAALOX12CES2 | |
| O-Xylene SCHEMBL28092006 | 0.91 | ACHE (0.65) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL11235816 | 0.89 | ACHE (0.85) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL28121452 | 0.89 | ACHE (0.85) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL7662176 | 0.89 | — | — | |
| Toluene SCHEMBL4669662 | 0.89 | — | — | |
| Toluene SCHEMBL8943621 | 0.89 | ACHE (0.85) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL3396447 | 0.89 | ACHE (0.85) | ACHETSHRLMNAALOX12CES2 | |
| Toluene SCHEMBL578212 | 0.89 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112955124-A | Oral film compositions and dosage forms having precise active dissolution profiles | 阿奎蒂夫疗法公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-109749056-A | A kind of acid controlled degradation ketal type cycloaliphatic epoxy resin, preparation method and application | 大连理工大学 | 2019-05-14 | — | — | CN | disclosed |
| CN-106279083-B | A kind of furocoumarin analog derivative and preparation method thereof | 浙江大学 | 2019-01-08 | — | — | CN | disclosed |
| CN-109071575-A | Hydrolytic resistance silicone compounds and its manufacturing method | 信越化学工业株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-108623425-A | Method for constructing four-membered ring by visible light catalysis [2+2] reaction | 中国科学院理化技术研究所 | 2018-10-09 | — | — | CN | disclosed |
| CN-104169347-B | Conjugated polymer | 默克专利股份有限公司 | 2016-08-24 | — | — | CN | disclosed |