Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | STING1 | Q86WV6 | 4/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9541062 | 0.84 | STING1 (0.36) | STING1ALDH1A1S1PR1S1PR3TSHR | |
| SCHEMBL9541014 | 0.83 | ALDH1A1 (0.36) | STING1ALDH1A1TSHRCYP3A4KMT2A | |
| SCHEMBL7028472 | 0.82 | PDE4A (0.50) | CYP2A6STING1PTPN2 | |
| SCHEMBL9538537 | 0.81 | STING1 (0.43) | STING1ALDH1A1TSHRCYP3A4KMT2A | |
| SCHEMBL9538461 | 0.79 | STING1 (0.47) | STING1TSHRCYP3A4HSD17B10TP53 | |
| SCHEMBL9537166 | 0.78 | STING1 (0.33) | STING1ALDH1A1TSHRKMT2AHSD17B10 | |
| SCHEMBL9541789 | 0.77 | TSHR (0.40) | STING1TSHRCYP3A4KMT2AHSD17B10 | |
| SCHEMBL10271885 | 0.77 | KDM4E (0.39) | STING1ALDH1A1TSHRCYP3A4KMT2A | |
| SCHEMBL9540660 | 0.76 | CYP3A4 (0.39) | STING1TSHRCYP3A4 | |
| SCHEMBL9537019 | 0.73 | STING1 (0.42) | STING1ALDH1A1TSHRMAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4863923-A | Method of inhibiting superoxide release | ELI LILLY AND COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0253650-A2 | Improvements relating to benzothiophene derivatives | ELI LILLY AND COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |