Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL7373745 | 0.81 | VCAM1 (0.51) | SMN1; SMN2CYP3A4MAPTALDH1A1GRM8 | |
| Urea SCHEMBL3678424 | 0.73 | SMN1; SMN2 (0.63) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL7379785 | 0.72 | TNF (0.40) | GRM4 | |
| SCHEMBL7080519 | 0.71 | NPC1 (0.46) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL13458416 | 0.71 | ALDH1A1 (0.47) | NPC1CYP3A4MAPTALDH1A1LMNA | |
| SCHEMBL7379834 | 0.71 | CYP2C19 (0.37) | CYP3A4ALDH1A1HTTTSHR | |
| Acrylamide SCHEMBL27801304 | 0.69 | SMN1; SMN2 (0.53) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL8417924 | 0.69 | SMN1; SMN2 (0.44) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL6664755 | 0.69 | GPR35 (0.41) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL539064 | 0.69 | ALDH1A1 (0.60) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 |
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 |