Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 12/20 | 0.41 |
| ▸ | CA1 | P00915 | 12/20 | 0.41 |
| ▸ | CA2 | P00918 | 11/20 | 0.41 |
| ▸ | CA5A | P35218 | 9/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 9/20 | 0.41 |
| ▸ | CA4 | P22748 | 8/20 | 0.41 |
| ▸ | CA7 | P43166 | 8/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3841982 | 1.00 | TSHR (0.47) | TSHRPTPN1CA12CA1CA2 | |
| SCHEMBL9007988 | 0.81 | TSHR (0.55) | TSHRPTPN1CA12CA1CA2 | |
| SCHEMBL9007984 | 0.81 | TSHR (0.55) | TSHRPTPN1CA12CA1CA2 | |
| SCHEMBL6285257 | 0.80 | CYP2D6 (0.48) | TSHRCA12CA1CA2CA5A | |
| SCHEMBL22556156 | 0.80 | CYP2D6 (0.48) | TSHRCA12CA1CA2CA5A | |
| SCHEMBL22556152 | 0.80 | CYP2D6 (0.48) | TSHRCA12CA1CA2CA5A | |
| SCHEMBL28635606 | 0.79 | CYP2D6 (0.47) | TSHRCA12CA1CA2CA5A | |
| SCHEMBL6207548 | 0.79 | TSHR (0.50) | TSHRPTPN1CA12CA1CA2 | |
| SCHEMBL13945304 | 0.79 | CYP2D6 (0.44) | TSHRCA12CA1CA2CA5A | |
| SCHEMBL20211464 | 0.78 | CYP3A4 (0.47) | MEN1USP2LMNACYP3A4MAPK1 |
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-0511917-B1 | Glycosylated prodrugs, process for their preparation and uses thereof | HOECHST SA LAB (FR) | 1996-10-23 | — | — | EP | claimed |
| US-5561119-A | ANTITUMOR AGENTS | LABORATOIRES HOECHST (FR) | 1996-10-01 | — | — | US | claimed |