Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6973707 | 0.95 | ALDH1A1 (0.34) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL7078695 | 0.91 | CYP1A2 (0.36) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL6966178 | 0.91 | ADRA1D (0.36) | ALDH1A1MEN1KMT2AS1PR3GABRA1 | |
| SCHEMBL6974966 | 0.91 | GRIN1 (0.36) | S1PR3HDAC1HDAC8TLR7 | |
| SCHEMBL6974469 | 0.91 | TLR7 (0.36) | ALDH1A1KDM4EKMT2AS1PR3GABRA1 | |
| SCHEMBL6972473 | 0.90 | LMNA (0.36) | ALDH1A1KDM4EHPGDCASP1CASP7 | |
| SCHEMBL6964122 | 0.90 | P2RX3 (0.34) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL6973316 | 0.88 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AGABRA1GABRA5 | |
| SCHEMBL7080841 | 0.88 | GRIN1 (0.36) | ALDH1A1KMT2AS1PR3LMNA | |
| SCHEMBL6966597 | 0.86 | FKBP1A (0.35) | S1PR3GABRA1GABRA5LMNATLR7 |
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 4 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 |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |