Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL31434661 | 0.84 | CTNNB1 (0.40) | PDE2AKLKB1CTNNB1WNT3AFAAH | |
| SCHEMBL16398593 | 0.80 | UTRN (0.42) | NR1H4CYP1A2PDE2ANLRP3TTK | |
| SCHEMBL754523 | 0.79 | ALDH1A1 (0.46) | CYP1A2KLKB1NPC1RAB9AHTT | |
| SCHEMBL5566352 | 0.77 | GPR183 (0.41) | NR1H4CYP1A2MAPT | |
| SCHEMBL5566350 | 0.77 | GPR183 (0.41) | NR1H4CYP1A2MAPT | |
| SCHEMBL31478493 | 0.77 | NLRP3 (0.41) | CYP1A2NLRP3KLKB1TTKNPC1 | |
| SCHEMBL11564835 | 0.76 | CYP1A2 (0.50) | CYP1A2KLKB1NPC1RAB9AALDH1A1 | |
| SCHEMBL553885 | 0.76 | KLKB1 (0.56) | CYP1A2NLRP3KLKB1NPC1RAB9A | |
| SCHEMBL31434623 | 0.74 | CYP1A2 (0.40) | CYP1A2NLRP3KLKB1NPC1RAB9A | |
| SCHEMBL31434665 | 0.74 | CYP1A2 (0.41) | CYP1A2NLRP3KLKB1RAB9APOLB |
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 |