Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.40 |
| ▸ | CA6 | P23280 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10429257 | 1.00 | TSHR (0.51) | TSHRLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL23742936 | 0.89 | TSHR (0.53) | TSHRLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL12573457 | 0.83 | LMNA (0.47) | TSHRLMNAKMT2AALDH1A1CYP2D6 | |
| SCHEMBL6256354 | 0.81 | CA12 (0.58) | TSHRLMNACYP2D6CA12CA1 | |
| SCHEMBL19772733 | 0.81 | CA12 (0.58) | TSHRLMNACYP2D6CA12CA1 | |
| SCHEMBL9684068 | 0.81 | CA12 (0.58) | TSHRLMNACYP2D6CA12CA1 | |
| SCHEMBL9684071 | 0.81 | CA12 (0.58) | TSHRLMNACYP2D6CA12CA1 | |
| SCHEMBL25651657 | 0.81 | CA12 (0.58) | TSHRLMNACYP2D6CA12CA1 | |
| SCHEMBL9094454 | 0.81 | NT5E (0.46) | PTPN1 | |
| SCHEMBL9094458 | 0.81 | NT5E (0.46) | PTPN1 |
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-0302253-B1 | 3-DEMETHYL-4-FLUORO-MEVALONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS BASED ON THOSE COMPOUNDS, THEIR USE AND INTERMEDIATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-04-07 | — | — | EP | disclosed |
| US-4898868-A | ANTICHOLESTEROL AGENTS; LACTONE OR FREE ACID FORM | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-02-06 | — | — | US | disclosed |