Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14979102 | 0.79 | CYP3A4 (0.43) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL15004145 | 0.79 | ADRA2C (0.39) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL1848482 | 0.76 | TSHR (0.42) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL13066991 | 0.72 | TDP1 (0.41) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL24775105 | 0.71 | ALDH1A1 (0.38) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL14979537 | 0.70 | CYP3A4 (0.41) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL13806556 | 0.69 | KMT2A (0.42) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL20571954 | 0.69 | KMT2A (0.42) | CYP3A4TSHRCYP2C9CYP2C19HTR2A | |
| SCHEMBL12337184 | 0.69 | TDP1 (0.38) | CYP3A4TSHRCYP2C19PKMALOX15 | |
| SCHEMBL2632542 | 0.69 | KMT2A (0.42) | CYP3A4TSHRCYP2C9CYP2C19HTR2A |
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-2013073896-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2013-05-23 | — | — | WO | disclosed |