Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | HNF4A | P41235 | 1/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 2/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11201624 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3175665 | 0.86 | MCL1 (0.66) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10374434 | 0.84 | CA12 (0.61) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10373933 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EMAPTGAA | |
| SCHEMBL2956403 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3161431 | 0.79 | MCL1 (0.72) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15220064 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10372975 | 0.77 | LCK (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9117526 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10398143 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187487-B1 | BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1990-08-29 | — | — | EP | disclosed |
| US-4703053-A | Benzothiophenes and benzofurans and antiallergic use thereof | WARNER-LAMBERT COMPANY (US) | 1987-10-27 | — | — | US | disclosed |
| EP-0187487-A1 | Benzothiophenes and benzofurans having antiallergic activity | WARNER-LAMBERT COMPANY (US) | 1986-07-16 | — | — | EP | disclosed |
| US-4539412-A | ANTITUMOR AGENTS | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1985-09-03 | — | — | US | disclosed |