Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.69 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL9700648 | 0.88 | CYP3A4 (0.71) | CYP3A4LTA4HPOLBMAPTALDH1A1 | |
| SCHEMBL43509 | 0.83 | CYP3A4 (1.00) | CYP3A4TAAR1IDO1POLBMAPT | |
| SCHEMBL30097830 | 0.83 | CYP3A4 (1.00) | CYP3A4TAAR1IDO1POLBMAPT | |
| SCHEMBL6351215 | 0.82 | CYP3A4 (0.80) | CYP3A4LTA4HPOLBMAPTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9140534 | 0.81 | CYP3A4 (0.95) | CYP3A4TAAR1IDO1POLBMAPT | |
| SCHEMBL8765734 | 0.81 | CYP3A4 (0.95) | CYP3A4TAAR1IDO1POLBMAPT | |
| SCHEMBL12607303 | 0.80 | CYP3A4 (0.77) | CYP3A4POLBMAPTALDH1A1KDM4E | |
| SCHEMBL10714891 | 0.80 | CYP3A4 (0.83) | CYP3A4POLBMAPTALDH1A1KDM4E | |
| SCHEMBL8093804 | 0.79 | TAAR1 (0.56) | LTA4HTAAR1IDO1DAO | |
| SCHEMBL30000562 | 0.79 | TAAR1 (0.60) | LTA4HTAAR1IDO1ALDH1A1DAO |
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-2023040793-A1 | ANTI-INFLAMMATORY COMPOUND AND USE THEREOF | 映恩生物制药（苏州）有限公司 | 2023-03-23 | — | — | WO | disclosed |