Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30806173 | 0.89 | TSHR (0.56) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL9188413 | 0.89 | TSHR (0.56) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL9139410 | 0.87 | ALDH1A1 (0.49) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL10507953 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL6228820 | 0.81 | CA1 (0.59) | ALDH1A1TSHRL3MBTL1LMNAHSD17B10 | |
| SCHEMBL7023378 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL7029930 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL11108790 | 0.80 | CYP3A4 (0.59) | ALDH1A1TSHRCYP3A4MAPK1LMNA | |
| SCHEMBL6677154 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL7027541 | 0.80 | ALDH1A1 (0.49) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046626-B1 | SUBSTITUTED BENZENESULFONYL ISOCYANATES AND PREPARATION THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-02-08 | — | — | EP | claimed |
| EP-0046626-B1 | SUBSTITUTED BENZENESULFONYL ISOCYANATES AND PREPARATION THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-02-08 | — | — | EP | disclosed |