Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698665 | 1.00 | NR5A1 (0.49) | NR5A1THRATSHRCA12CA1 | |
| SCHEMBL3084645 | 1.00 | NR5A1 (0.49) | NR5A1THRATSHRCA12CA1 | |
| SCHEMBL2231848 | 0.95 | CA12 (0.47) | NR5A1THRACA12CA1CA2 | |
| SCHEMBL667266 | 0.92 | CA12 (0.45) | THRACA12CA1CA2CA3 | |
| SCHEMBL2257425 | 0.90 | CA12 (0.44) | THRACA12CA1CA2CA3 | |
| SCHEMBL2253453 | 0.90 | CA12 (0.44) | THRACA12CA1CA2CA3 | |
| SCHEMBL10642885 | 0.86 | NR5A1 (0.62) | NR5A1THRATSHRCA12CA1 | |
| SCHEMBL347683 | 0.86 | NR5A1 (0.62) | NR5A1THRATSHRCA12CA1 | |
| SCHEMBL4945033 | 0.86 | NR5A1 (0.62) | NR5A1THRATSHRCA12CA1 | |
| SCHEMBL669106 | 0.85 | CA12 (0.45) | CA12CA1CA2CA3CA4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996008267-A1 | SEMI-SYNTHETIC LIPOPEPTIDES, COMPOSITIONS CONTAINING SAID LIPOPEPTIDES, AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | claimed |
| EP-0789579-A4 | AZA CYCLOHEXAPEPTIDE COMPOUNDS | MERCK & CO INC (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0789579-A1 | AZA CYCLOHEXAPEPTIDE COMPOUNDS | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5516756-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5516757-A | ANTIFUNGAL | MERCK & CO., INC. (US) | 1996-05-14 | — | — | US | disclosed |
| WO-1996013272-A1 | AZA CYCLOHEXAPEPTIDE COMPOUNDS | MERCK & CO., INC. (US) | 1996-05-09 | — | — | WO | disclosed |
| WO-1996008267-A1 | SEMI-SYNTHETIC LIPOPEPTIDES, COMPOSITIONS CONTAINING SAID LIPOPEPTIDES, AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |