Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CISD2 | Q8N5K1 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL4630661 | 1.00 | CYP3A4 (0.50) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL22445788 | 0.87 | CYP3A4 (0.49) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL18786779 | 0.84 | CYP3A4 (0.46) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL5988684 | 0.81 | ALDH1A1 (0.54) | CYP3A4HPGDKDM4EALDH1A1MEN1 | |
| SCHEMBL29103452 | 0.81 | CYP3A4 (0.47) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL11766398 | 0.80 | CYP3A4 (0.53) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL19677594 | 0.78 | CYP3A4 (0.56) | CYP3A4ACHEHPGDPOLBKDM4E | |
| SCHEMBL19570319 | 0.78 | THRB (0.40) | CYP3A4HPGDPOLBCISD2KDM4E | |
| SCHEMBL8309614 | 0.78 | KDM4E (0.48) | CYP3A4ACHEHPGDPOLBCISD2 | |
| SCHEMBL10073229 | 0.78 | CYP3A4 (0.55) | CYP3A4ACHEHPGDPOLBCISD2 |
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-0980369-A1 | SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS | TEXAS BIOTECHNOLOGY CORPORATION (US) | 2000-02-23 | — | — | EP | disclosed |
| WO-1998049162-A1 | SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1998-11-05 | — | — | WO | disclosed |