Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31434660 | 0.86 | ROCK2 (0.36) | ROCK2LIPG | |
| SCHEMBL31434754 | 0.85 | GABRA2 (0.45) | CYP1A2MMP13GABRG2GABRB3GABRA5 | |
| SCHEMBL31434586 | 0.84 | CYP1A2 (0.36) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31434652 | 0.83 | CLK1 (0.37) | CYP1A2ROCK2GABRA1GABRG2GABRB3 | |
| SCHEMBL31434600 | 0.83 | CYP1A2 (0.40) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31434593 | 0.82 | SYK (0.36) | CYP1A2NLRP3 | |
| SCHEMBL31434705 | 0.82 | GABRA2 (0.41) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31434616 | 0.81 | CDC7 (0.36) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31434635 | 0.81 | CYP1A2 (0.36) | CYP1A2NLRP3PDGFRBPDGFRA | |
| SCHEMBL31434804 | 0.78 | CYP1A2 (0.39) | CYP1A2GABRA1GABRG2GABRB3GABRA5 |
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-2025085347-A1 | IL4I1 INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2025-04-24 | — | — | WO | disclosed |