Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409015 | 0.81 | ALDH1A1 (0.59) | ALDH1A1HPGDEPHX1TSHRHTT | |
| SCHEMBL12702785 | 0.74 | APP (0.42) | ALDH1A1TSHRGAAKMT2AMAPT | |
| SCHEMBL30601570 | 0.73 | HPGD (0.66) | ALDH1A1HPGDHTTGAAKDM4E | |
| SCHEMBL3129401 | 0.73 | HPGD (0.66) | ALDH1A1HPGDHTTGAAKDM4E | |
| SCHEMBL24356362 | 0.73 | ALDH1A1 (0.77) | ALDH1A1HPGDGAAKMT2AMAPT | |
| SCHEMBL29793327 | 0.72 | ACHE (0.52) | ALDH1A1HPGDTSHRGAAKDM4E | |
| SCHEMBL1635785 | 0.72 | ACHE (0.52) | ALDH1A1HPGDTSHRGAAKDM4E | |
| SCHEMBL25210284 | 0.71 | ALDH1A1 (0.51) | ALDH1A1HPGDEPHX1HTTGAA | |
| SCHEMBL4778825 | 0.69 | PDE4B (0.43) | ALDH1A1HPGDTSHRGAAKDM4E | |
| SCHEMBL10886977 | 0.69 | ALDH1A1 (0.51) | ALDH1A1HPGDHTTGAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1252717-A | Intermediate and method for preparing benzo [ b ] thiophene | LILLY CO ELI (US) | 2000-05-10 | — | — | CN | disclosed |
| WO-1998048787-A1 | INTERMEDIATES AND A PROCESS FOR PREPARING BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |