Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5335402 | 0.78 | ALDH1A1 (0.67) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL19322134 | 0.77 | SMN1; SMN2 (0.66) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL4732225 | 0.76 | CYP3A4 (0.63) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL5213677 | 0.76 | CYP3A4 (0.63) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL306160 | 0.76 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRPKMMEN1 | |
| SCHEMBL29510136 | 0.76 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRPKMMEN1 | |
| SCHEMBL19321878 | 0.75 | CYP3A4 (0.61) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL11608023 | 0.74 | CYP3A4 (0.60) | CYP3A4ALDH1A1TSHRPKMMAPT | |
| SCHEMBL6179001 | 0.74 | TDP1 (0.65) | ALDH1A1TSHRPKMMAPTMEN1 | |
| SCHEMBL11610949 | 0.74 | CYP3A4 (0.60) | CYP3A4ALDH1A1TSHRPKMMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1291345-A1 | Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors | WARNER-LAMBERT COMPANY (US) | 2003-03-12 | — | — | EP | disclosed |