Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.73 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12048268 | 0.92 | ALDH1A1 (0.61) | ALDH1A1CYP2A6HCRTR2TSHRENPP2 | |
| SCHEMBL15223149 | 0.89 | ALDH1A1 (0.57) | ALDH1A1CYP2A6HCRTR2RORCKDM4E | |
| SCHEMBL995812 | 0.88 | CA2 (0.50) | ALDH1A1CYP2A6TSHRENPP2CA12 | |
| SCHEMBL15906453 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2A6HCRTR2TSHRENPP2 | |
| SCHEMBL18390810 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2A6HCRTR2ACHEAR | |
| SCHEMBL12048231 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP2A6HCRTR2TSHRRORC | |
| SCHEMBL19888145 | 0.86 | CYP2A6 (0.53) | ALDH1A1CYP2A6HCRTR2TSHRRORC | |
| SCHEMBL46818 | 0.85 | — | — | |
| P-Xylene SCHEMBL3926102 | 0.85 | CYP2A6 (1.00) | ALDH1A1CYP2A6TSHRENPP2BCHE | |
| SCHEMBL27329500 | 0.85 | CYP2A6 (1.00) | ALDH1A1CYP2A6TSHRENPP2BCHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882243-B1 | DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL AND LIGHT TRANSMITTER USING SAME | UNIV KYUSHU NAT UNIV CORP (JP) | 2023-01-04 | — | — | EP | disclosed |
| US-5633337-A | Aromatic benzobisazole polymers and copolymers incorporating diphenylamino moieties | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1997-05-27 | — | — | US | disclosed |
| US-5536866-A | Triarylamine-based dinitrile and dicarboxylic acid monomers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1996-07-16 | — | — | US | disclosed |