Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TYR | P14679 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL11211487 | 0.90 | ACP3 (0.55) | ACHEACP3CA1CA2CA9 | |
| Hydrogen Peroxide SCHEMBL6284866 | 0.90 | ACP3 (0.53) | ACHEACP3CA1CA2CA9 | |
| Isopropylbenzene SCHEMBL28101077 | 0.89 | ACHE (0.65) | ACHEACP3CA1CA2CA9 | |
| Phenol SCHEMBL11904040 | 0.88 | CA2 (0.53) | CA1CA2CA9TDP1ALDH1A1 | |
| Isopropylbenzene SCHEMBL22653317 | 0.88 | ACP3 (0.52) | ACHEACP3CA1CA2CA9 | |
| SCHEMBL99347 | 0.85 | ACHE (0.55) | ACHEACP3CA1CA2CA9 | |
| SCHEMBL5490186 | 0.85 | ACHE (0.55) | ACHEACP3CA1CA2CA9 | |
| SCHEMBL29352930 | 0.85 | ACHE (0.55) | ACHEACP3CA1CA2CA9 | |
| Ethane SCHEMBL27276168 | 0.83 | ACHE (0.52) | ACHEACP3CA1CA2CA9 | |
| Hydrogen Peroxide SCHEMBL11040445 | 0.81 | ADRB1 (0.59) | ACHECA1CA2CA9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103957704-B | Microbicidal composition | 荷兰联合利华有限公司 | 2016-08-31 | — | — | CN | disclosed |