Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2737309 | 0.88 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL1281895 | 0.84 | P2RX7 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL16954732 | 0.84 | CYP1A2 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL23526499 | 0.84 | CYP3A4 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL1467055 | 0.84 | CYP3A4 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL23563480 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL18567934 | 0.81 | CYP1A2 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL22801396 | 0.80 | CYP1A2 (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL12204154 | 0.79 | ADRB2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL20847708 | 0.79 | CYP1A2 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220204766-A1 | HIGH MOLECULAR WEIGHT FLEXIBLE CURABLE POLYIMIDES | DESIGNER MOLECULES, INC | 2022-06-30 | — | — | US | disclosed |