Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6507918 | 0.81 | ESR1 (0.48) | ESR1HRH3L3MBTL1TDP1PLA2G4B | |
| SCHEMBL6508803 | 0.80 | ESR1 (0.46) | ESR1L3MBTL1TDP1ADRB2 | |
| SCHEMBL6506706 | 0.77 | L3MBTL1 (0.61) | ESR1L3MBTL1TDP1 | |
| SCHEMBL6508614 | 0.76 | ESR1 (0.42) | ESR1HRH3L3MBTL1TDP1NAAA | |
| SCHEMBL11775368 | 0.75 | CYP3A4 (0.70) | ALDH1A1NAAACYP3A4FAAHLMNA | |
| SCHEMBL11775768 | 0.75 | CYP3A4 (0.70) | ALDH1A1NAAACYP3A4FAAHLMNA | |
| SCHEMBL11773505 | 0.75 | CYP3A4 (0.70) | ALDH1A1NAAACYP3A4FAAHLMNA | |
| SCHEMBL20963533 | 0.73 | NPC1 (0.50) | ALDH1A1L3MBTL1LMNA | |
| SCHEMBL430043 | 0.73 | ESR1 (0.62) | ESR1L3MBTL1TDP1 | |
| SCHEMBL13316186 | 0.73 | ALDH1A1 (0.48) | ESR1ALDH1A1HRH3TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005100329-A1 | NOVEL PROTECTING REAGENTS, PROTECTING GROUPS AND METHODS OF FORMING AND USING THE SAME | THE UNIVERSITY OF MISSISSIPI (US) | 2005-10-27 | — | — | WO | disclosed |