Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | NAAA | Q02083 | 3/20 | 0.61 |
| ▸ | REN | P00797 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TLR2 | O60603 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19728216 | 1.00 | CYP3A4 (0.68) | CYP3A4TSHRNAAARENHPGD | |
| SCHEMBL16328626 | 0.94 | CYP3A4 (0.72) | CYP3A4TSHRNAAARENALDH1A1 | |
| SCHEMBL16384273 | 0.88 | CYP3A4 (0.68) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL16384406 | 0.88 | CYP3A4 (0.68) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL16384379 | 0.88 | CYP3A4 (0.68) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL23154582 | 0.88 | CYP3A4 (0.77) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL18506515 | 0.88 | CYP3A4 (0.77) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL18467793 | 0.88 | CYP3A4 (0.77) | CYP3A4TSHRRENHPGDALDH1A1 | |
| SCHEMBL19728217 | 0.87 | GRIA1 (0.56) | — | |
| SCHEMBL7561359 | 0.86 | CYP3A4 (0.65) | CYP3A4TSHRRENALDH1A1CYP2D6 |
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-2023240102-A1 | ANTIMICROBIAL COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2023-12-14 | — | — | WO | disclosed |