Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PLAU | P00749 | 2/20 | 0.35 |
| ▸ | F9 | P00740 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30278835 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2A6MAPTPLAUPIM1 | |
| SCHEMBL15639371 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2A6MAPTPLAUPIM1 | |
| SCHEMBL18820778 | 0.79 | EPM2A (0.37) | CYP2A6PLAUF9F10PIM1 | |
| SCHEMBL29709198 | 0.79 | EPM2A (0.37) | CYP2A6PLAUF9F10PIM1 | |
| SCHEMBL23280687 | 0.79 | TDP1 (0.40) | CYP1A2CYP2A6MAPTPIM1PIM2 | |
| SCHEMBL24962714 | 0.79 | ALOX5 (0.42) | CYP1A2CYP2A6MAPTALDH1A1POLB | |
| SCHEMBL16273135 | 0.79 | IDO1 (0.40) | CYP1A2CYP2A6MAPTPIM1PIM2 | |
| SCHEMBL15497381 | 0.79 | PIM1 (0.40) | CYP1A2CYP2A6MAPTPIM1PIM2 | |
| SCHEMBL355686 | 0.77 | GPR3 (0.54) | MAPTPLAUF9F10ALDH1A1 | |
| SCHEMBL16273151 | 0.77 | MAPT (0.36) | CYP1A2CYP2A6MAPTPIM1PIM2 |
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-2021128764-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2021-07-01 | — | — | WO | disclosed |