Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | STS | P08842 | 2/20 | 0.64 |
| ▸ | PPARG | P37231 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.50 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL581359 | 0.88 | KMT2A (0.65) | SMN1; SMN2NPC1RAB9ASTSPPARG | |
| SCHEMBL16182661 | 0.87 | ESR1 (0.66) | SMN1; SMN2NPC1RAB9ASTSPPARG | |
| SCHEMBL1665974 | 0.83 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ASTSCA1 | |
| SCHEMBL18775822 | 0.82 | TDP1 (0.48) | SMN1; SMN2NPC1RAB9ASTSPPARG | |
| SCHEMBL28541685 | 0.81 | CA12 (0.60) | SMN1; SMN2NPC1RAB9ASTSCA12 | |
| SCHEMBL687294 | 0.80 | KMT2A (0.72) | SMN1; SMN2NPC1RAB9ASTSCA12 | |
| SCHEMBL1680061 | 0.80 | STS (0.73) | STSPPARGCA12CA9CA1 | |
| SCHEMBL581277 | 0.80 | STS (0.73) | STSPPARGCA12CA9CA1 | |
| SCHEMBL11964254 | 0.79 | MEN1 (0.67) | SMN1; SMN2NPC1RAB9ASTSKMT2A | |
| SCHEMBL2832246 | 0.79 | TDP1 (0.48) | SMN1; SMN2NPC1RAB9APPARGTDP1 |
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-2314581-B1 | A process for preparing benzo[b]thiophene derivatives | HEXAL AG (DE) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011047877-A1 | A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES | HEXAL AKTIENGESELLSCHAFT (DE) | 2011-04-28 | — | — | WO | disclosed |
| EP-2314581-A1 | A process for preparing benzo[b]thiophene derivatives | Hexal AG (DE) | 2011-04-27 | — | — | EP | disclosed |