Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 2/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL7953870 | 1.00 | ABCB1 (0.52) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL1289475 | 0.97 | ABCB1 (0.55) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL1289479 | 0.97 | ABCB1 (0.55) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL1289480 | 0.97 | ABCB1 (0.55) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| Hydrochloric Acid SCHEMBL1289494 | 0.96 | ABCB1 (0.54) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| Hydrochloric Acid SCHEMBL1289493 | 0.96 | ABCB1 (0.54) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| Hydrochloric Acid SCHEMBL1289505 | 0.96 | ABCB1 (0.54) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL4686060 | 0.91 | NQO2 (0.59) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL4686065 | 0.91 | NQO2 (0.59) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL4686062 | 0.91 | NQO2 (0.59) | ABCB1NQO2MTNR1AMTNR1BCYP19A1 |
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 |