Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL22838526 | 0.81 | AGTR1 (0.47) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL8623909 | 0.78 | CA1 (0.55) | POLBHTTNPSR1L3MBTL1LMNA | |
| SCHEMBL15328802 | 0.77 | AGTR1 (0.50) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL15328772 | 0.77 | AGTR1 (0.50) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL21323401 | 0.74 | CA1 (0.55) | POLBHTTNPSR1L3MBTL1CA1 | |
| SCHEMBL21816513 | 0.73 | CYP1A2 (0.55) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL6481118 | 0.73 | CYP1A2 (0.55) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL30988788 | 0.73 | CYP1A2 (0.55) | POLBHTTNPSR1L3MBTL1AGTR1 | |
| SCHEMBL4564350 | 0.73 | ABCB11 (0.49) | L3MBTL1CYP1A2CA1CA2CA12 | |
| SCHEMBL22738008 | 0.72 | CA1 (0.46) | POLBHTTNPSR1L3MBTL1AGTR1 |
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 |