Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | TRPM5 | Q9NZQ8 | 2/20 | 0.39 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11042094 | 0.90 | HTR2C (0.47) | HTR2CCYP19A1TRPM5TRPM4HRH4 | |
| SCHEMBL11049212 | 0.88 | CYP19A1 (0.38) | HTR2CCYP19A1HRH4HRH3MAOB | |
| SCHEMBL11352506 | 0.88 | CYP19A1 (0.38) | HTR2CCYP19A1HRH4HRH3MAOB | |
| SCHEMBL11049210 | 0.88 | CYP19A1 (0.38) | HTR2CCYP19A1HRH4HRH3MAOB | |
| SCHEMBL11046135 | 0.88 | HRH3 (0.45) | HTR2CCYP19A1TRPM5HRH4HRH3 | |
| SCHEMBL11043767 | 0.81 | CHRM2 (0.41) | HRH3MAOBCHRM2CHRM4CHRM5 | |
| SCHEMBL11046975 | 0.81 | CHRM2 (0.41) | HRH3MAOBCHRM2CHRM4CHRM5 | |
| SCHEMBL11045163 | 0.80 | HRH4 (0.41) | HTR2CHRH4HRH3MAOBCHRM2 | |
| SCHEMBL11364253 | 0.80 | HRH4 (0.41) | HTR2CHRH4HRH3MAOBCHRM2 | |
| SCHEMBL11045161 | 0.80 | HRH4 (0.41) | HTR2CHRH4HRH3MAOBCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4452991-A | OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES | BATCHELOR JOHN F (GB) | 1984-06-05 | — | — | US | claimed |
| EP-0025599-B1 | BENZOPYRAN COMPOUNDS, USEFUL AS CHEMOTHERAPEUTIC AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-12-19 | — | — | EP | disclosed |
| US-4452991-A | OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES | BATCHELOR JOHN F (GB) | 1984-06-05 | — | — | US | disclosed |
| EP-0025599-A1 | Benzopyran compounds, useful as chemotherapeutic agents | THE WELLCOME FOUNDATION LIMITED (GB) | 1981-03-25 | — | — | EP | disclosed |