Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Chlorotriphenylmethane SCHEMBL16781670 | 0.97 | TSHR (0.65) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL461 | 0.97 | TSHR (0.65) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL29446246 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL27386873 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL27845684 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL113884 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL11237663 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL7246540 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL7567317 | 0.93 | TSHR (0.61) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 | |
| Chlorotriphenylmethane SCHEMBL28051494 | 0.90 | TSHR (0.58) | TSHRCYP1A2KCNN4ALDH1A1CYP19A1 |
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-108721618-A | Fe3O4@CuO@OxyHb@ZnPc@five yuan of compound systems of m-HA and its preparation method and application | 南京师范大学 | 2018-11-02 | — | — | CN | disclosed |