Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31434621 | 0.77 | KDM4E (0.52) | ALDH1A1KDM4EKMT2AHPGDUSP2 | |
| SCHEMBL11564835 | 0.75 | CYP1A2 (0.50) | CYP1A2ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL6601700 | 0.74 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAKMT2AMAPT | |
| SCHEMBL553885 | 0.73 | KLKB1 (0.56) | CYP1A2ALDH1A1KDM4ENLRP3TSHR | |
| SCHEMBL10919184 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAKMT2AMAPT | |
| SCHEMBL9714181 | 0.70 | CYP1A2 (0.51) | CYP1A2ALDH1A1KDM4EGAAHTT | |
| SCHEMBL855444 | 0.69 | CYP1A2 (0.50) | CYP1A2ALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL24852561 | 0.69 | DRD2 (0.47) | CYP1A2KDM4EGAAHTTMAPT | |
| SCHEMBL30162544 | 0.69 | DRD2 (0.47) | CYP1A2KDM4EGAAHTTMAPT | |
| SCHEMBL31434680 | 0.69 | MAPT (0.44) | CYP1A2ALDH1A1KDM4EGAAMAPT |
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 |