Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 SCHEMBL10358163 | 0.84 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL28066784 | 0.84 | TSHR (0.71) | ALDH1A1TDP1TSHRCA12CA1 | |
| 3-Chloroaniline SCHEMBL33289 | 0.84 | — | — | |
| 3-Chloroaniline SCHEMBL5189307 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL28216730 | 0.83 | CYP3A4 (0.59) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL28085212 | 0.82 | TSHR (0.68) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL27813393 | 0.82 | ALDH1A1 (0.68) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL28212203 | 0.82 | ALDH1A1 (0.68) | ALDH1A1TDP1TSHRCA12CA1 | |
| 3-Aminophenol SCHEMBL3946320 | 0.82 | CA14 (0.85) | ALDH1A1TDP1TSHRCA12CA1 | |
| Phenol SCHEMBL28228036 | 0.82 | ALDH1A1 (0.68) | ALDH1A1TDP1TSHRCA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432180-A | Compound containing benzo[b]thiophene structure, and derivative, preparation method and application | 华东师范大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-105801481-A | Lenvatinib synthesizing method | 湖南欧亚生物有限公司 | 2016-07-27 | — | — | CN | disclosed |