Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 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 | |
|---|---|---|---|---|
| SCHEMBL20149314 | 0.94 | TSHR (0.41) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL15132495 | 0.93 | TSHR (0.38) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL15132494 | 0.93 | EPHX2 (0.41) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL20149247 | 0.92 | MEN1 (0.44) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL19658251 | 0.92 | MEN1 (0.44) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL14134340 | 0.91 | TSHR (0.49) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL12082159 | 0.91 | CASP2 (0.46) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL14134341 | 0.91 | TSHR (0.49) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL14924287 | 0.91 | MEN1 (0.44) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL16587998 | 0.91 | TSHR (0.49) | TSHRMEN1KMT2ACA12CA1 |
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-2017205309-A1 | INSULIN RECEPTOR PARTIAL AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-30 | — | — | WO | disclosed |