Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2200728 | 0.87 | CYP3A4 (0.41) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL11623430 | 0.81 | HTR2A (0.44) | TAAR1KCNN4KCNH2HTR2AHTR2C | |
| SCHEMBL10506716 | 0.80 | KCNN4 (0.39) | KIF11TAAR1KCNN4KCNH2HTR2A | |
| SCHEMBL1971090 | 0.78 | KCNN4 (0.48) | KIF11TAAR1KCNN4ALDH1A1SMN1; SMN2 | |
| SCHEMBL13062957 | 0.76 | KCNN4 (0.52) | KIF11KCNN4KCNH2HTR2AHTR2C | |
| SCHEMBL985016 | 0.76 | ALDH1A1 (0.48) | KIF11KCNN4KCNH2HTR2AHTR2C | |
| SCHEMBL27656875 | 0.76 | KCNN4 (0.44) | KIF11KCNN4KCNH2OPRK1ALDH1A1 | |
| SCHEMBL6555560 | 0.76 | KCNN4 (0.36) | KIF11TAAR1KCNN4KCNH2HTR2A | |
| SCHEMBL10938605 | 0.76 | KCNN4 (0.36) | KIF11TAAR1KCNN4KCNH2HTR2A | |
| SCHEMBL15020650 | 0.74 | CYP3A4 (0.41) | ALDH1A1CYP3A4ALOX15CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3046927-B1 | POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS | MERCK PATENT GMBH (DE) | 2019-01-30 | — | — | EP | disclosed |