Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.31 |
| ▸ | KCNK13 | Q9HB14 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6973380 | 1.00 | GRIN1 (0.36) | GRIN1GRIN2BLMNATP53KMT2A | |
| SCHEMBL6960949 | 0.91 | KCNK13 (0.30) | GRIN1GRIN2BKCNK13 | |
| SCHEMBL6960954 | 0.91 | KCNK13 (0.30) | GRIN1GRIN2BKCNK13 | |
| SCHEMBL6973265 | 0.90 | GRIN1 (0.39) | GRIN1GRIN2BCYP11B2HPGD | |
| SCHEMBL6973263 | 0.90 | GRIN1 (0.39) | GRIN1GRIN2BCYP11B2HPGD | |
| SCHEMBL6960647 | 0.90 | IDO1 (0.36) | TP53KMT2AIDO1ALDH1A1HPGD | |
| SCHEMBL6960641 | 0.90 | IDO1 (0.36) | TP53KMT2AIDO1ALDH1A1HPGD | |
| SCHEMBL6969046 | 0.88 | ALDH1A1 (0.34) | KMT2ACYP3A4CYP2D6CYP2C9KCNK13 | |
| SCHEMBL6969050 | 0.88 | ALDH1A1 (0.34) | KMT2ACYP3A4CYP2D6CYP2C9KCNK13 | |
| SCHEMBL6969917 | 0.87 | GRIN1 (0.38) | GRIN1GRIN2BLMNATP53KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| 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 |