Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7430752 | 0.80 | CYP26A1 (0.34) | ALDH1A1POLBGAATHRBALOX12 | |
| SCHEMBL7444375 | 0.80 | TRPA1 (0.39) | TRPA1POLBTSHRCYP1A2CYP3A4 | |
| SCHEMBL7441666 | 0.79 | CYP1A2 (0.39) | ALDH1A1POLBGAATSHRCYP1A2 | |
| SCHEMBL7444181 | 0.78 | TSHR (0.38) | TRPA1GAATSHRCYP1A2CYP3A4 | |
| SCHEMBL9130921 | 0.77 | TSHR (0.47) | TRPA1POLBTSHRMEN1KMT2A | |
| SCHEMBL9134829 | 0.77 | L3MBTL1 (0.41) | ALDH1A1TRPA1TSHRCYP1A2CYP3A4 | |
| SCHEMBL7440686 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1NR1H4 | |
| SCHEMBL9540262 | 0.76 | KDM4E (0.44) | ALDH1A1POLBTSHRCYP1A2CYP3A4 | |
| SCHEMBL9130891 | 0.75 | TRPA1 (0.36) | ALDH1A1TRPA1POLBTSHRKMT2A | |
| SCHEMBL7432817 | 0.75 | ALDH1A1 (0.42) | ALDH1A1POLBGAATHRBALOX12 |
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-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |