Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22640257 | 0.81 | ABCB11 (0.51) | ABCB11TSHRCYP2C9GPR88AOC3 | |
| SCHEMBL338074 | 0.78 | CA1 (0.55) | TSHRAOC3L3MBTL1ALDH1A1RAB9A | |
| SCHEMBL6704463 | 0.78 | CA1 (0.55) | TSHRAOC3L3MBTL1ALDH1A1RAB9A | |
| SCHEMBL7419755 | 0.76 | ABCB11 (0.70) | ABCB11TSHRCYP2C9GPR88AOC3 | |
| SCHEMBL7051522 | 0.76 | ABCB11 (0.70) | ABCB11TSHRCYP2C9GPR88AOC3 | |
| SCHEMBL9711999 | 0.74 | ABCB11 (0.52) | ABCB11TSHRCYP2C9GPR88AOC3 | |
| SCHEMBL7128925 | 0.74 | ABCB11 (0.52) | ABCB11TSHRCYP2C9GPR88AOC3 | |
| SCHEMBL1959718 | 0.73 | CA1 (0.55) | TSHRAOC3L3MBTL1ALDH1A1RAB9A | |
| SCHEMBL4434527 | 0.73 | POLB (0.45) | TSHRL3MBTL1CA12CA1CA2 | |
| SCHEMBL17660055 | 0.72 | AOC3 (0.61) | ABCB11TSHRCYP2C9AOC3L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2089374-A2 | METHOD FOR THE SYNTHESIS OF N- [3- [ (2-METHOXYPHÉNYL) SULFANY] -2- METHYLPROPY]-3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE.<0} | Pierre Fabre Medicament (FR) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008068403-A2 | METHOD FOR THE SYNTHESIS OF N- [3- [ (2-METHOXYPHÉNYL) SULFANYL] -2- METHYLPROPYL] -3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE<0} | PIERRE FABRE MEDICAMENT (FR) | 2008-06-12 | — | — | WO | disclosed |