Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23355982 | 0.79 | TSHR (0.39) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL788138 | 0.77 | KCNN4 (0.35) | ALDH1A1MAPK1KCNN4 | |
| SCHEMBL15669154 | 0.77 | KCNN4 (0.35) | ALDH1A1MAPK1KCNN4 | |
| SCHEMBL21064210 | 0.76 | — | — | |
| SCHEMBL8210656 | 0.74 | CYP2D6 (0.35) | ALDH1A1CYP3A4KCNN4KMT2A | |
| SCHEMBL796518 | 0.74 | — | — | |
| SCHEMBL14910456 | 0.72 | ESR1 (0.70) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL35881 | 0.72 | ESR1 (0.70) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL21064192 | 0.72 | — | — | |
| SCHEMBL11808708 | 0.72 | HSD17B10 (0.32) | ALDH1A1MAPK1MAPTKMT2ACNR1 |
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-1130355-C | Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORP (US) | 2003-12-10 | — | — | CN | disclosed |
| CN-1184470-A | Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORP (US) | 1998-06-10 | — | — | CN | disclosed |