Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16177334 | 1.00 | TSHR (0.45) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL3898694 | 1.00 | TSHR (0.45) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL19275912 | 0.88 | TSHR (0.41) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL19275904 | 0.88 | TSHR (0.41) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL19275861 | 0.86 | TSHR (0.41) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL19275867 | 0.86 | TSHR (0.41) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL11952638 | 0.86 | TSHR (0.41) | TSHRMMP13MEN1KMT2AHTT | |
| SCHEMBL19189052 | 0.81 | SMN1; SMN2 (0.50) | TSHRMEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL11952636 | 0.81 | SMN1; SMN2 (0.50) | TSHRMEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL15255392 | 0.81 | SMN1; SMN2 (0.50) | TSHRMEN1KMT2AHTTSMN1; SMN2 |
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 |