Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579742 | 1.00 | ESR1 (0.56) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL7522409 | 0.88 | ESR1 (0.56) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL5579748 | 0.88 | ESR1 (0.56) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL24227321 | 0.81 | ESR1 (0.68) | ESR1CYP19A1MAOBAR | |
| SCHEMBL4360680 | 0.81 | ESR1 (0.86) | ESR1CYP19A1MAOBADORA3KDM4E | |
| SCHEMBL28186146 | 0.80 | RET (0.51) | RETKDRCYP19A1MAOBADORA3 | |
| SCHEMBL16376660 | 0.80 | ESR1 (0.55) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL92288 | 0.79 | ESR1 (0.45) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL9434848 | 0.79 | ESR1 (0.45) | ESR1RETKDRCYP19A1MAOB | |
| SCHEMBL8702376 | 0.79 | ESR1 (0.45) | ESR1RETKDRCYP19A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |