Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.48 |
| ▸ | ITGAV | P06756 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7163689 | 0.90 | ITGB3 (0.48) | ALDH1A1TSHRITGB3ITGAVCYP3A4 | |
| SCHEMBL7164177 | 0.88 | ITGB3 (0.47) | ALDH1A1TSHRITGB3ITGAVCYP3A4 | |
| SCHEMBL7163835 | 0.86 | ITGAV (0.44) | ALDH1A1TSHRITGB3ITGAVCYP3A4 | |
| SCHEMBL7168903 | 0.83 | ITGB3 (0.43) | ALDH1A1ITGB3ITGAVPOLBMAPT | |
| SCHEMBL7474783 | 0.83 | ITGB3 (0.44) | ALDH1A1TSHRITGB3ITGAVCYP3A4 | |
| SCHEMBL7163795 | 0.82 | F10 (0.41) | ITGB3ITGAV | |
| SCHEMBL7163892 | 0.82 | HSD17B10 (0.39) | ALDH1A1TSHRITGB3ITGAVPOLB | |
| SCHEMBL13191086 | 0.81 | ITGB3 (0.46) | ALDH1A1ITGB3ITGAVHSD17B10MAPK1 | |
| SCHEMBL7160807 | 0.81 | ITGB3 (0.46) | ALDH1A1ITGB3ITGAVHSD17B10MAPK1 | |
| SCHEMBL7165236 | 0.80 | ITGB3 (0.44) | TSHRITGB3ITGAVMAPTHSD17B10 |
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-0964856-B1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 2002-10-09 | — | — | EP | disclosed |