Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 9/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.59 |
| ▸ | ALPI | P09923 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | XIAP | P98170 | 1/20 | 0.59 |
| ▸ | NOS3 | P29474 | 3/20 | 0.58 |
| ▸ | NOS1 | P29475 | 3/20 | 0.58 |
| ▸ | NOS2 | P35228 | 3/20 | 0.58 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22444601 | 0.89 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL16291101 | 0.89 | SLC7A5 (0.61) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL16861142 | 0.86 | SLC7A5 (0.57) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL5566682 | 0.86 | SLC7A5 (0.57) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL18280237 | 0.86 | SLC7A5 (0.57) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL7258408 | 0.83 | SLC7A5 (0.57) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL2540721 | 0.83 | SLC7A5 (0.57) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL2314258 | 0.83 | SLC7A5 (0.77) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL16291076 | 0.82 | SLC7A5 (0.66) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL7257490 | 0.82 | NOS3 (0.56) | SLC7A5PTGS1ALPIPKMXIAP |
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-6699855-B2 | PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2004-03-02 | — | — | US | disclosed |