Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | GRN | P28799 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084618 | 0.80 | ITGB3 (0.40) | TPMTTACR1TNFKDM4EALDH1A1 | |
| SCHEMBL7379834 | 0.77 | CYP2C19 (0.37) | TPMTTACR1EPHX1ALDH1A1CYP3A4 | |
| SCHEMBL7417348 | 0.77 | EPHX1 (0.33) | EPHX1CYP2C19 | |
| SCHEMBL16952027 | 0.74 | TSHR (0.40) | TPMTGRNSORT1ALDH1A1CYP3A4 | |
| SCHEMBL7377175 | 0.74 | HTT (0.46) | KDM4EALDH1A1GAALMNACYP1A2 | |
| SCHEMBL7386503 | 0.73 | CES2 (0.41) | TACR1EPHX1ALDH1A1GAA | |
| SCHEMBL28510114 | 0.70 | TPMT (0.42) | TPMTEPHX1APPALDH1A1GAA | |
| SCHEMBL16957582 | 0.70 | TSHR (0.40) | CYP3A4 | |
| SCHEMBL7385340 | 0.69 | KDM4E (0.39) | KDM4EALDH1A1CYP3A4ADORA3NFKB1 | |
| SCHEMBL7562318 | 0.69 | PARP1 (0.46) | GAACYP2C19 |
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 |