Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGAV | P06756 | 2/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3050522 | 0.93 | PTPN1 (0.51) | PTPN1ITGB3ITGAVCCKARCCKBR | |
| SCHEMBL7472722 | 0.90 | PTPN1 (0.48) | PTPN1ITGB3ITGAVCCKARCCKBR | |
| SCHEMBL13170308 | 0.89 | ITGB3 (0.48) | ITGB3ITGAVALDH1A1MAPK1HSD17B10 | |
| SCHEMBL7369540 | 0.88 | MAPT (0.41) | ITGB3ITGAVCCKARCCKBRTACR1 | |
| SCHEMBL7478478 | 0.87 | PTPN1 (0.41) | PTPN1ITGB3ITGAVCCKARCCKBR | |
| SCHEMBL7165492 | 0.87 | PTPN1 (0.44) | PTPN1ITGB3ITGAVTHRBHSD17B10 | |
| SCHEMBL7160899 | 0.86 | PTPN1 (0.49) | PTPN1ITGB3ITGAVCCKARCCKBR | |
| SCHEMBL7441206 | 0.85 | ALDH1A1 (0.42) | THRBALDH1A1MAPK1HSD17B10TSHR | |
| SCHEMBL7371688 | 0.85 | ITGB3 (0.40) | ITGB3ITGAVTHRBALDH1A1MAPK1 | |
| SCHEMBL7474158 | 0.85 | ITGB3 (0.48) | ITGB3ITGAVTHRBALDH1A1MAPK1 |
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 |