Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.42 |
| ▸ | NQO2 | P16083 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7943675 | 1.00 | CYP19A1 (0.44) | CYP19A1CYP11B2MTNR1AMTNR1BNQO2 | |
| SCHEMBL7943671 | 1.00 | CYP19A1 (0.44) | CYP19A1CYP11B2MTNR1AMTNR1BNQO2 | |
| SCHEMBL7943570 | 0.85 | CYP19A1 (0.47) | CYP19A1CYP11B2MTNR1AMTNR1BNQO2 | |
| SCHEMBL7943567 | 0.85 | CYP19A1 (0.47) | CYP19A1CYP11B2MTNR1AMTNR1BNQO2 | |
| SCHEMBL7943572 | 0.85 | CYP19A1 (0.47) | CYP19A1CYP11B2MTNR1AMTNR1BNQO2 | |
| SCHEMBL7952090 | 0.84 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2KDM4EMAPT | |
| SCHEMBL7952086 | 0.84 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2KDM4EMAPT | |
| SCHEMBL7952088 | 0.84 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2KDM4EMAPT | |
| SCHEMBL7952097 | 0.82 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2KDM4EMAPT | |
| SCHEMBL7952100 | 0.82 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6235789-B1 | GLANDULAR DISORDERS; SLEEP DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0781271-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008466-A1 | BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-21 | — | — | WO | disclosed |