Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL4869057 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Acetonitrile SCHEMBL28015776 | 0.97 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Water SCHEMBL27804318 | 0.86 | ALDH1A1 (0.91) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Water SCHEMBL18836927 | 0.86 | — | — | |
| Water SCHEMBL8957849 | 0.86 | — | — | |
| Acetonitrile SCHEMBL9387131 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Water SCHEMBL5697496 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Water SCHEMBL17584784 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL8972750 | 0.82 | — | — | |
| Water SCHEMBL27738945 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TSHRTDP1HSD17B10LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101027278-A | Preparation of beta-amino acids having affinity for the alpha-2-delta protein | WARNER LAMBERT CO (US) | 2007-08-29 | — | — | CN | disclosed |