Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 10/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539018 | 0.84 | TSHR (0.36) | TSHRCYP3A4STING1LMNATP53 | |
| SCHEMBL9538537 | 0.78 | STING1 (0.43) | TSHRCYP3A4STING1HSD17B10KMT2A | |
| SCHEMBL9538258 | 0.77 | CYP2A6 (0.44) | TSHRCYP3A4STING1TP53HSD17B10 | |
| SCHEMBL9540660 | 0.77 | CYP3A4 (0.39) | TSHRCYP3A4STING1ALOX5 | |
| SCHEMBL9538461 | 0.76 | STING1 (0.47) | TSHRCYP3A4STING1TP53HSD17B10 | |
| SCHEMBL9541014 | 0.74 | ALDH1A1 (0.36) | TSHRCYP3A4STING1LMNAHSD17B10 | |
| SCHEMBL9541062 | 0.72 | STING1 (0.36) | TSHRCYP3A4STING1TP53HSD17B10 | |
| Tibenelast SCHEMBL449748 | 0.72 | STING1 (0.54) | TSHRSTING1HSD17B10 | |
| SCHEMBL9540466 | 0.71 | PPARG (0.40) | TSHRCYP3A4STING1 | |
| SCHEMBL9537019 | 0.71 | STING1 (0.42) | TSHRSTING1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993005033-A1 | BENZO[b]THIOPHENE DERIVATES, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-18 | — | — | WO | disclosed |