Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4324429 | 1.00 | TDP1 (0.50) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL29010717 | 0.83 | TDP1 (0.38) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL21546549 | 0.83 | CYP3A4 (0.38) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL20356132 | 0.81 | PARP1 (0.42) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL27308331 | 0.76 | TDP1 (0.43) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL8556469 | 0.74 | CYP2A6 (0.48) | TDP1TSHRCYP3A4AHRALOX15 | |
| SCHEMBL11474986 | 0.72 | TDP1 (0.53) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL6660944 | 0.72 | APEX1 (0.60) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL11525331 | 0.72 | CYP3A4 (0.39) | TDP1TSHRCYP3A4GABRA1GABRB1 | |
| SCHEMBL16672373 | 0.72 | ALDH1A1 (0.43) | TDP1TSHRCYP3A4GABRA1GABRB1 |
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-2023102364-A1 | ANTIVIRAL COMPOUNDS, COMPOSITIONS AND USES THEREOF | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2023-06-08 | — | — | WO | disclosed |