Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 2/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6968910 | 0.77 | CAPN1 (0.42) | LTB4RTRPA1TAAR1SIGMAR1SLC18A2 | |
| SCHEMBL6973960 | 0.72 | IDO1 (0.38) | TRPA1TAAR1SIGMAR1SLC18A2HTT | |
| SCHEMBL7081023 | 0.71 | TRPA1 (0.33) | TRPA1TAAR1SIGMAR1SLC18A2HPGD | |
| SCHEMBL6973409 | 0.70 | SLC6A4 (0.36) | TRPA1ALDH1A1GAASLC6A2SLC6A4 | |
| SCHEMBL4879384 | 0.70 | LTB4R (0.40) | LTB4RKDM5AHTTKDM4EALDH1A1 | |
| SCHEMBL29179941 | 0.65 | POLB (0.55) | KDM4E | |
| SCHEMBL8801712 | 0.64 | LTB4R (0.46) | LTB4RTRPA1TAAR1SIGMAR1TSHR | |
| Diphenylmethane SCHEMBL28532500 | 0.64 | CALM1 (0.67) | TRPA1TAAR1SIGMAR1SLC18A2SLC6A2 | |
| SCHEMBL13232184 | 0.62 | TRPA1 (0.50) | TRPA1TAAR1SIGMAR1SLC18A2KDM4E | |
| SCHEMBL98084 | 0.62 | TRPA1 (0.59) | TRPA1TAAR1SIGMAR1SLC18A2TSHR |
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 |