Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.33 |
| ▸ | CETP | P11597 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 3/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11584490 | 1.00 | TSHR (0.40) | TSHRMAPTLMNACYP3A4USP2 | |
| SCHEMBL11584492 | 1.00 | TSHR (0.40) | TSHRMAPTLMNACYP3A4USP2 | |
| SCHEMBL2997984 | 0.86 | PPARG (0.43) | TSHRPPARGALDH1A1LTB4RLTB4R2 | |
| SCHEMBL11587350 | 0.86 | MEN1 (0.53) | TSHRMAPTLMNACYP3A4USP2 | |
| SCHEMBL2997989 | 0.86 | PPARG (0.43) | TSHRPPARGALDH1A1LTB4RLTB4R2 | |
| SCHEMBL11587353 | 0.86 | MEN1 (0.53) | TSHRMAPTLMNACYP3A4USP2 | |
| SCHEMBL11071962 | 0.82 | — | — | |
| SCHEMBL9791246 | 0.82 | MAPT (0.40) | MAPTLMNACYP3A4USP2RECQL | |
| SCHEMBL12475479 | 0.80 | USP2 (0.35) | MAPTLMNACYP3A4USP2RECQL | |
| SCHEMBL8445029 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7534905-B2 | Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-05-19 | — | — | US | disclosed |