Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28977200 | 0.87 | MMP1 (0.50) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL20697403 | 0.82 | MMP1 (0.41) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL12136577 | 0.78 | TSHR (0.40) | MMP1KISS1RCACNA2D1CACNB3CACNA1C | |
| SCHEMBL29309521 | 0.75 | TSHR (0.37) | MMP1KISS1R | |
| Hydrochloric Acid SCHEMBL28201851 | 0.75 | SLC7A5 (0.35) | MMP1MMP2MMP3MMP9MMP13 | |
| SCHEMBL2906592 | 0.75 | MGAM (0.44) | ALDH1A1TDP1 | |
| SCHEMBL2912543 | 0.75 | MGAM (0.44) | ALDH1A1TDP1 | |
| SCHEMBL2912840 | 0.75 | MGAM (0.44) | ALDH1A1TDP1 | |
| SCHEMBL8652868 | 0.72 | CYP19A1 (0.42) | CYP19A1ALDH1A1TDP1 | |
| SCHEMBL5563470 | 0.72 | MGAM (0.41) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4420423-A | DIMERIZING ISOAMYLENE, OXIDIZING, REDUCTION TO FORM ALCOHOLS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-12-13 | — | — | US | disclosed |