Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 5/20 | 1.00 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5140 | 1.00 | ENPP2 (1.00) | ENPP2CA1CA2ACHENLRP3 | |
| Methyl Alcohol SCHEMBL28712606 | 0.98 | ENPP2 (0.96) | ENPP2CA1CA2ACHENLRP3 | |
| SCHEMBL28060965 | 0.92 | ENPP2 (0.85) | ENPP2CA1CA2ACHENLRP3 | |
| Acetonitrile SCHEMBL28133848 | 0.91 | ENPP2 (0.82) | ENPP2CA1CA2ACHENLRP3 | |
| SCHEMBL4974692 | 0.89 | ENPP2 (0.79) | ENPP2CA1CA2ACHENLRP3 | |
| Bicarbonate SCHEMBL28687639 | 0.89 | ENPP2 (0.79) | ENPP2CA1CA2ACHENLRP3 | |
| SCHEMBL26693037 | 0.86 | ENPP2 (0.74) | ENPP2CA1CA2ACHENLRP3 | |
| SCHEMBL30693949 | 0.86 | ENPP2 (0.75) | ENPP2CA1CA2NLRP3ALDH1A1 | |
| SCHEMBL28948432 | 0.85 | ENPP2 (0.73) | ENPP2CA1CA2ACHENLRP3 | |
| SCHEMBL30219783 | 0.85 | ENPP2 (0.73) | ENPP2CA1CA2ACHENLRP3 |
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-0819125-A1 | THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996031492-A1 | THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1996-10-10 | — | — | WO | disclosed |