Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL25507680 | 0.83 | — | — | |
| SCHEMBL26238 | 0.83 | — | — | |
| Quinoline SCHEMBL27817062 | 0.83 | ALDH1A1 (0.50) | CYP19A1CYP11B1CYP11B2CYP24A1FAAH | |
| SCHEMBL28509375 | 0.81 | — | — | |
| SCHEMBL28429143 | 0.76 | CYP3A4 (0.37) | CYP19A1CYP24A1FAAHMGLLCYP3A4 | |
| SCHEMBL1186098 | 0.76 | CES2 (0.49) | CYP19A1CYP11B1CYP11B2LMNA | |
| Phenylpyruvate SCHEMBL28776087 | 0.75 | CES2 (0.44) | CYP19A1CYP11B1CYP11B2CYP24A1FAAH | |
| Naphthalene SCHEMBL7446184 | 0.75 | FAAH (0.42) | CYP19A1CYP11B1CYP11B2CYP24A1FAAH | |
| SCHEMBL31564903 | 0.73 | BCHE (0.48) | CYP19A1CYP11B1CYP11B2ALDH1A1LMNA | |
| Anthracene SCHEMBL27725162 | 0.72 | NFKB1 (0.62) | CYP19A1CYP11B1CYP11B2CYP26A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20030092067-A1 | Substrates and inhibitors of proteolytic enzymes | PEPTIDE THERAPEUTICS LIMITED | 2003-05-15 | — | — | US | disclosed |
| US-6528275-B1 | Screening for cleavage using combinatorial fluorescence resonance energy transfer (FRET) compounds of given formula; can use to accelerate drug discovery process | PEPTIDE THERAPEUTICS LIMITED (GB) | 2003-03-04 | — | — | US | disclosed |
| EP-0906333-B1 | SUBSTRATES AND INHIBITORS OF PROTEOLYTIC ENZYMES | MEDIVIR UK LTD (GB) | 2001-07-25 | — | — | EP | disclosed |
| EP-0906333-A2 | SUBSTRATES AND INHIBITORS OF PROTEOLYTIC ENZYMES | PEPTIDE THERAPEUTICS LIMITED (GB) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906334-A1 | AUTO-DECONVOLUTING COMBINATORIAL LIBRARIES | PEPTIDE THERAPEUTICS LIMITED (GB) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997042216-A1 | AUTO-DECONVOLUTING COMBINATORIAL LIBRARIES | PEPTIDE THERAPEUTICS LIMITED (GB) | 1997-11-13 | — | — | WO | disclosed |
| WO-1997040065-A2 | SUBSTRATES AND INHIBITORS OF PROTEOLYTIC ENZYMES | PEPTIDE THERAPEUTICS LIMITED (GB) | 1997-10-30 | — | — | WO | disclosed |