Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | EDNRA | P25101 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224310 | 0.84 | CYP1A2 (0.56) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL7998749 | 0.80 | CYP1A2 (0.60) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL21316068 | 0.79 | CYP1A2 (0.58) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL13991803 | 0.77 | CYP1A2 (0.56) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL19724363 | 0.76 | NCF1 (0.56) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL7219738 | 0.75 | ADORA2A (0.61) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL7382607 | 0.74 | EDNRA (0.52) | CYP1A2NCF1KDM4EALDH1A1HPGD | |
| SCHEMBL3632780 | 0.72 | CYP1A2 (0.46) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL2512183 | 0.72 | CYP1A2 (0.64) | CYP1A2NCF1KDM4EMAPTUSP2 | |
| SCHEMBL18535202 | 0.72 | NCF1 (0.66) | CYP1A2NCF1KDM4EMAPTUSP2 |
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 |