Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2859788 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1HSD17B10MMP1 | |
| SCHEMBL27464717 | 0.82 | TSHR (0.41) | ALDH1A1TSHRTDP1HSD17B10SLC7A5 | |
| SCHEMBL2855141 | 0.82 | TSHR (0.41) | ALDH1A1TSHRTDP1HSD17B10SLC7A5 | |
| SCHEMBL5813287 | 0.82 | TSHR (0.41) | ALDH1A1TSHRTDP1HSD17B10SLC7A5 | |
| SCHEMBL9970576 | 0.77 | TSHR (0.42) | ALDH1A1TSHRTDP1HSD17B10MMP1 | |
| SCHEMBL9970276 | 0.77 | TSHR (0.42) | ALDH1A1TSHRTDP1HSD17B10MMP1 | |
| SCHEMBL8989873 | 0.77 | TSHR (0.42) | ALDH1A1TSHRTDP1HSD17B10MMP1 | |
| SCHEMBL8339335 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1HSD17B10MMP1 | |
| SCHEMBL14288629 | 0.76 | — | — | |
| SCHEMBL13397307 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |