Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylphenylsulfide SCHEMBL2529222 | 0.82 | CES1 (0.45) | HPGDALDH1A1CES1FFAR1MAPT | |
| Diphenylsulfane SCHEMBL6843735 | 0.82 | HPGD (0.62) | HPGDALDH1A1CES1SIRT1FFAR1 | |
| Diphenylsulfane SCHEMBL19056221 | 0.82 | HPGD (0.62) | HPGDALDH1A1CES1SIRT1FFAR1 | |
| Diphenylsulfane SCHEMBL7024955 | 0.82 | HPGD (0.62) | HPGDALDH1A1CES1SIRT1FFAR1 | |
| SCHEMBL7198187 | 0.81 | CES1 (0.67) | HPGDALDH1A1CES1LMNAL3MBTL1 | |
| Diphenylsulfane SCHEMBL29264767 | 0.79 | HPGD (0.60) | HPGDALDH1A1SIRT1FFAR1CXCL12 | |
| Iodobenzene SCHEMBL334303 | 0.78 | CES1 (0.50) | CES1HDAC6CPA1CYP1A2 | |
| Iodobenzene SCHEMBL2237441 | 0.78 | CES1 (0.50) | CES1HDAC6CPA1CYP1A2 | |
| Iodobenzene SCHEMBL2485086 | 0.78 | CES1 (0.50) | CES1HDAC6CPA1CYP1A2 | |
| Diphenylsulfane SCHEMBL6382661 | 0.77 | ALDH1A1 (0.44) | HPGDALDH1A1CES1SIRT1MAOA |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808330-B1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | MERCK & CO INC (US) | 2005-11-09 | — | — | EP | disclosed |
| CN-1132624-C | Compsns. comprising antifungal agent and acetate buffer | MERCK & CO INC (US) | 2003-12-31 | — | — | CN | disclosed |
| CN-1127515-C | Process for preparing certain azacyclohexapeptides | MERCK & CO INC (US) | 2003-11-12 | — | — | CN | disclosed |
| EP-0912603-B1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | MERCK & CO INC (US) | 2003-10-15 | — | — | EP | disclosed |
| CN-1122672-C | Process for the preparation of azacyclohexapeptides | MERCK & CO INC (US) | 2003-10-01 | — | — | CN | disclosed |
| EP-0904098-B1 | COMPOSITIONS COMPRISING ANTIFUNGAL AGENT AND ACETATE BUFFER | MERCK & CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| US-6136783-A | Antifungal compositions | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | disclosed |
| US-5952300-A | CYCLIC PEPTIDE FUNGICIDE FOR INTRAVENOUS ADMINISTRATION | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |
| US-5936062-A | Process for preparing certain aza cyclohexapeptides | MERCK & CO., INC. (US) | 1999-08-10 | — | — | US | disclosed |
| CN-1222161-A | Process for preparing certain aza cyclohexapeptides | MERCK & CO INC (US) | 1999-07-07 | — | — | CN | disclosed |
| CN-1222082-A | Compsns. comprising antifungal agent and acetate buffer | MERCK & CO INC (US) | 1999-07-07 | — | — | CN | disclosed |
| EP-0912603-A1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | Merck & Co., Inc. (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0904098-A1 | COMPOSITIONS COMPRISING ANTIFUNGAL AGENT AND ACETATE BUFFER | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| CN-1173875-A | Process for preparing certain AZA Cyclohexapeptides | MERCK & CO INC (US) | 1998-02-18 | — | — | CN | disclosed |
| WO-1997047645-A1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | MERCK & CO., INC. (US) | 1997-12-18 | — | — | WO | disclosed |
| EP-0808330-A1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | Merck & Co., Inc. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1997039763-A1 | COMPOSITIONS COMPRISING ANTIFUNGAL AGENT AND ACETATE BUFFER | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |
| US-5552521-A | REDUCTION OF PRIMARY AMIDE, STEREOSELECTIVE AMINATION | MERCK & CO., INC. (US) | 1996-09-03 | — | — | US | disclosed |
| WO-1996024613-A1 | A PROCESS FOR PREPARING CERTAIN AZA CYCLOHEXAPEPTIDES | MERCK & CO., INC. (US) | 1996-08-15 | — | — | WO | disclosed |
| US-4950418-A | TRIFLUOROACETIC ACID, TRIALKYLSILYL TRIFLUOROMETHANESULFONATE, ANISOLE, THIOANISOLE, OR DIPHENYL SULFIDE; NONTOXIC | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1990-08-21 | — | — | US | disclosed |