Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL25877344 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6AKR1B1KDM4EGAA | |
| SCHEMBL7558852 | 0.76 | TSHR (0.44) | CYP1A2CYP2A6KDM4EGAAALDH1A1 | |
| SCHEMBL7377171 | 0.74 | HTT (0.46) | CYP1A2KDM4EGAAALDH1A1HPGD | |
| SCHEMBL27630839 | 0.73 | IDO1 (0.45) | AKR1B1 | |
| SCHEMBL11471749 | 0.73 | AKR1B1 (0.58) | CYP1A2CYP2A6AKR1B1KDM4EGAA | |
| SCHEMBL25877335 | 0.73 | CYP2A6 (0.48) | CYP1A2CYP2A6AKR1B1KDM4EALDH1A1 | |
| SCHEMBL5898006 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2A6AKR1B1KDM4EGAA | |
| SCHEMBL8851565 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2A6KDM4EGAAALDH1A1 | |
| SCHEMBL5898012 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2A6AKR1B1KDM4EALDH1A1 | |
| SCHEMBL15345412 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2A6KDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |