Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 2/20 | 0.47 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1603439 | 0.82 | PTPN22 (0.54) | PTPN22HSD17B10ALDH1A1THRBCYP1A2 | |
| SCHEMBL25279300 | 0.77 | HPRT1 (0.56) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL20590037 | 0.75 | HPRT1 (0.51) | HPRT1PTPN22HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL27725822 | 0.75 | HPRT1 (0.54) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL20508159 | 0.74 | CYP1A2 (0.60) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL29436081 | 0.74 | CYP1A2 (0.60) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL30903911 | 0.74 | CYP1A2 (0.60) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL11076291 | 0.74 | HPRT1 (0.58) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL28013806 | 0.74 | HPRT1 (0.52) | HPRT1PTPN22HSD17B10ALDH1A1THRB | |
| SCHEMBL4846677 | 0.73 | HPRT1 (0.78) | HPRT1HSD17B10ALDH1A1THRBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101437921-A | Electroluminescent bis-cyclometallated iridium compounds and devices made with such compounds | DU PONT (US) | 2009-05-20 | — | — | CN | disclosed |