Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25640444 | 0.97 | CYP1A1 (0.35) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL25640481 | 0.96 | CYP1A1 (0.37) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL25640389 | 0.95 | CYP1A1 (0.39) | CYP1A1CYP1B1CYP1A2PRKDCKDM4E | |
| SCHEMBL25640484 | 0.95 | CYP1A1 (0.36) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL25640653 | 0.94 | CYP1A1 (0.35) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL25640448 | 0.92 | CA12 (0.33) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL25640398 | 0.92 | CYP1A1 (0.38) | CYP1A1CYP1B1CYP1A2PRKDCKDM4E | |
| SCHEMBL25640460 | 0.92 | CYP1A1 (0.36) | CYP1A1CYP1B1CYP1A2PRKDCKDM4E | |
| SCHEMBL25640396 | 0.91 | ALOX5 (0.39) | CYP1A1CYP1B1CYP1A2PRKDCKDM4E | |
| SCHEMBL25640659 | 0.91 | CYP1A1 (0.35) | CYP1A1CYP1B1CYP1A2CA12CA1 |
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-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |