Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | CA3 | P07451 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 11/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 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 SCHEMBL5874912 | 1.00 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27835118 | 0.97 | TDP1 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27593734 | 0.97 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL29160862 | 0.97 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28141238 | 0.97 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL8673294 | 0.89 | TDP1 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL1885111 | 0.88 | CA12 (0.73) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL6276419 | 0.88 | CA12 (0.73) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27675137 | 0.88 | CA12 (0.73) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27575469 | 0.88 | CA12 (0.73) | CA12CA1CA2GLACA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102725339-A | Use of protected n-hydroxyimide derivates and transition metal as oxygen scavenger system in transparent polyolefin films | BASF SE | 2012-10-10 | — | — | CN | disclosed |
| CN-101087863-B | Electroluminescent metal complexes with nucleophilic carbene ligands | CIBA SC HOLDING AG | 2012-06-20 | — | — | CN | disclosed |
| CN-102449023-A | polycyclic bithiophenes | BASF SE | 2012-05-09 | — | — | CN | disclosed |
| CN-101263203-B | Multiple chromophores based on rylene | BASF AG | 2012-01-11 | — | — | CN | disclosed |