Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28164771 | 1.00 | CA12 (0.44) | CA12CA2CA9CA14CA1 | |
| Resorcinol SCHEMBL28044421 | 0.90 | CYP3A4 (0.50) | CA12CA2CA9CA14CA1 | |
| Catechol SCHEMBL28164265 | 0.88 | TTR (0.41) | CA12CA2CA14CA3CA4 | |
| SCHEMBL524065 | 0.87 | LCK (0.43) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL359808 | 0.86 | CYP3A4 (0.47) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28088385 | 0.86 | CYP3A4 (0.47) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL454730 | 0.86 | CYP3A4 (0.47) | CA12CA2CA9CA14CA1 | |
| Formic Acid Phenyl Ester SCHEMBL6827438 | 0.85 | TDP1 (0.50) | CA12CA2CA9CA14CA1 | |
| Methane SCHEMBL27792691 | 0.85 | LCK (0.42) | CA12CA2CA9CA14CA1 | |
| Formic Acid Phenyl Ester SCHEMBL28126594 | 0.84 | CYP3A4 (0.48) | CA12CA2CA9CA14CA1 |
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-105905881-B | A kind of carbon aerogels and preparation method thereof | 河北省科学院能源研究所 | 2018-08-14 | — | — | CN | disclosed |