Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Captan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.73 |
| ▸ | TSHR | P16473 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | HTT | P42858 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Captan SCHEMBL2988537 | 0.86 | ALDH1A1 (0.86) | ALDH1A1TSHRLMNATP53HTT | |
| Captan SCHEMBL9668531 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TSHRLMNATP53HTT | |
| Captan SCHEMBL22126911 | 0.75 | ALDH1A1 (0.76) | ALDH1A1TSHRLMNATP53HTT | |
| SCHEMBL22931 | 0.73 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNATP53HTT | |
| Fluoromethane SCHEMBL4198867 | 0.73 | ALDH1A1 (0.63) | ALDH1A1TSHRLMNATP53HTT | |
| Captan SCHEMBL8530962 | 0.72 | TSHR (0.61) | ALDH1A1TSHRLMNATP53HTT | |
| SCHEMBL20873426 | 0.72 | ALDH1A1 (0.67) | ALDH1A1TSHRLMNATP53HTT | |
| Captan SCHEMBL8409894 | 0.71 | ALDH1A1 (0.69) | ALDH1A1TSHRLMNATP53HTT | |
| Probucol SCHEMBL9450637 | 0.71 | ALOX15 (0.59) | ALDH1A1TSHRLMNATP53HTT | |
| Benzene SCHEMBL192784 | 0.71 | ALDH1A1 (0.65) | ALDH1A1TSHRLMNATP53HTT |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373295-A2 | STEROIDAL COMPOSITIONS | Lipocine Inc. (US) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010081032-A2 | STEROIDAL COMPOSITIONS | LIPOCINE, INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| EP-1165048-A4 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF IONIZABLE HYDROPHOBIC THERAPEUTIC AGENTS | LIPOCINE INC (US) | 2007-12-05 | — | — | EP | disclosed |
| EP-1210063-A4 | COMPOSITIONS AND METHODS FOR ENHANCED ABSORPTION OF HYDROPHILIC THERAPEUTIC AGENTS | LIPOCINE INC (US) | 2007-08-15 | — | — | EP | disclosed |
| EP-1194120-A4 | CLEAR OIL-CONTAINING PHARMACEUTICAL COMPOSITIONS | LIPOCINE INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1158959-A4 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF HYDROPHOBIC THERAPEUTIC AGENTS | LIPOCINE INC (US) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003068186-A1 | PHARMACEUTICAL FORMULATIONS AND SYSTEMS FOR IMPROVED ABSORPTION AND MULTISTAGE RELEASE OF ACTIVE AGENTS | LIPOCINE, INC. (US) | 2003-08-21 | — | — | WO | disclosed |
| EP-1210063-A1 | COMPOSITIONS AND METHODS FOR ENHANCED ABSORPTION OF HYDROPHILIC THERAPEUTIC AGENTS | Lipocine, Inc. (US) | 2002-06-05 | — | — | EP | disclosed |
| EP-1194120-A1 | CLEAR OIL-CONTAINING PHARMACEUTICAL COMPOSITIONS | Lipocine, Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| EP-1165048-A1 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF IONIZABLE HYDROPHOBIC THERAPEUTIC AGENTS | Lipocine, Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-1158959-A1 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF HYDROPHOBIC THERAPEUTIC AGENTS | Lipocine, Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2001012155-A1 | COMPOSITIONS AND METHODS FOR ENHANCED ABSORPTION OF HYDROPHILIC THERAPEUTIC AGENTS | LIPOCINE, INC. (US) | 2001-02-22 | — | — | WO | disclosed |
| WO-2001001960-A1 | CLEAR OIL-CONTAINING PHARMACEUTICAL COMPOSITIONS | LIPOCINE, INC. (US) | 2001-01-11 | — | — | WO | disclosed |
| WO-2000059475-A1 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF IONIZABLE HYDROPHOBIC THERAPEUTIC AGENTS | LIPOCINE, INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000050007-A1 | COMPOSITIONS AND METHODS FOR IMPROVED DELIVERY OF HYDROPHOBIC THERAPEUTIC AGENTS | LIPOCINE, INC. (US) | 2000-08-31 | — | — | WO | disclosed |