Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 3/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Histidine SCHEMBL4678808 | 1.00 | PTGS1 (0.41) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 | |
| Histidine SCHEMBL1673654 | 0.93 | SLC7A5 (0.41) | PTGS1SLC7A5CYP3A4CYP1A2PKM | |
| Histidine SCHEMBL28064125 | 0.93 | SLC7A5 (0.41) | PTGS1SLC7A5CYP3A4CYP1A2PKM | |
| Histidine SCHEMBL1673653 | 0.93 | SLC7A5 (0.41) | PTGS1SLC7A5CYP3A4CYP1A2PKM | |
| Histidine SCHEMBL17113605 | 0.93 | SLC7A5 (0.41) | PTGS1SLC7A5CYP3A4CYP1A2PKM | |
| Histidine SCHEMBL18047802 | 0.92 | PTGS1 (0.48) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 | |
| Histidine SCHEMBL851432 | 0.92 | PTGS1 (0.48) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 | |
| Histidine SCHEMBL22091426 | 0.92 | PTGS1 (0.48) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 | |
| Histidine SCHEMBL4452747 | 0.92 | PTGS1 (0.48) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 | |
| Histidine SCHEMBL1673287 | 0.92 | PTGS1 (0.48) | PTGS1SLC7A11SLC7A5CYP3A4CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1240352-A2 | MOLECULES DERIVED FROM MECHANISM BASED DRUG DESIGN | eXegenics Inc. (US) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001045836-A2 | MOLECULES DERIVED FROM MECHANISM BASED DRUG DESIGN | CYTOCLONAL PHARMACEUTICS, INC. (US) | 2001-06-28 | — | — | WO | disclosed |