Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6975612 | 0.92 | GRIN1 (0.35) | GRIN1GRIN2BKMT2AATMGCGR | |
| SCHEMBL6960983 | 0.91 | ENPP2 (0.32) | GRIN1GRIN2BKMT2AMEN1HPGD | |
| SCHEMBL7085890 | 0.90 | GSK3B (0.34) | GRIN1GRIN2BKMT2AATMGCGR | |
| SCHEMBL6971599 | 0.90 | GRIN1 (0.36) | GRIN1GRIN2BKMT2AATMLMNA | |
| SCHEMBL7083464 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BKMT2AATMLMNA | |
| SCHEMBL7079909 | 0.89 | IDO1 (0.36) | KMT2ATP53P2RX3KDM4EMEN1 | |
| SCHEMBL5031006 | 0.89 | SLC2A4 (0.33) | KMT2AGCGRCYP3A4CYP17A1CYP11B1 | |
| SCHEMBL6973510 | 0.88 | GRIN1 (0.34) | GRIN1GRIN2BKMT2AATMLMNA | |
| SCHEMBL7086493 | 0.88 | GRIN1 (0.35) | GRIN1GRIN2BKMT2AATMLMNA | |
| SCHEMBL6975055 | 0.88 | GRIN1 (0.35) | GRIN1GRIN2BKMT2AATMLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |