Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8488706 | 0.91 | TSHR (0.43) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL10407691 | 0.85 | TSHR (0.50) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL15006816 | 0.84 | SRD5A2 (0.42) | SRD5A2ALDH1A1HTT | |
| SCHEMBL15007037 | 0.82 | ALDH1A1 (0.54) | TSHRSRD5A2ALDH1A1HTTCES2 | |
| SCHEMBL1015553 | 0.78 | KCNK2 (0.57) | TSHRTP53SRD5A2ALDH1A1HTT | |
| SCHEMBL735343 | 0.78 | TSHR (0.52) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL8779804 | 0.78 | KDM4E (0.38) | ALDH1A1 | |
| SCHEMBL15006775 | 0.78 | SRD5A2 (0.53) | TSHRALOX15SRD5A2CA1CA2 | |
| Terephthalic Acid SCHEMBL1243625 | 0.75 | TSHR (0.80) | TSHRTP53ALOX15SRD5A2CA1 | |
| SCHEMBL2821868 | 0.75 | TP53 (0.48) | TSHRTP53SRD5A2CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924352-B | Method for synthesizing 4-mercaptobenzoate | BEIJING INSIGHT HIGH TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-102924352-A | Method for synthesizing 4-mercaptobenzoate | BEIJING INSIGHT HIGH TECHNOLOGY CO LTD | 2013-02-13 | — | — | CN | disclosed |
| EP-0742201-A1 | PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1996-11-13 | — | — | EP | disclosed |