Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20647403 | 0.90 | PDK2 (0.37) | PDK2PTPN11MCL1 | |
| SCHEMBL18418541 | 0.86 | PDK2 (0.43) | PDK2PTPN11MAPTRAB9AL3MBTL1 | |
| SCHEMBL16265270 | 0.85 | S1PR1 (0.39) | PDK2S1PR1S1PR3PTPN11RARB | |
| SCHEMBL19637351 | 0.84 | PDK2 (0.45) | PDK2PTPN11L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL29331969 | 0.84 | — | — | |
| SCHEMBL18418563 | 0.81 | RARB (0.31) | RARB | |
| SCHEMBL18418553 | 0.81 | PDK2 (0.43) | PDK2PTPN11RARBL3MBTL1ALDH1A1 | |
| SCHEMBL17694316 | 0.80 | RARB (0.42) | RARBRAB9AALDH1A1LMNACYP3A4 | |
| SCHEMBL25070387 | 0.80 | PDK2 (0.41) | PDK2PTPN11L3MBTL1ALDH1A1 | |
| SCHEMBL17694315 | 0.79 | RARB (0.40) | S1PR1RARBRAB9A |
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-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |