Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963010 | 0.85 | TYMS (0.36) | TYMSALDH1A1DHFR | |
| SCHEMBL7086123 | 0.83 | TYMS (0.37) | TYMSGRM5ALDH1A1LMNACYP1A2 | |
| SCHEMBL8498278 | 0.80 | MEN1 (0.36) | TYMSGRM5ALDH1A1LMNACYP1A2 | |
| SCHEMBL7085415 | 0.79 | TP53 (0.39) | TYMSGRM5ALDH1A1LMNACYP1A2 | |
| SCHEMBL7078166 | 0.76 | TP53 (0.35) | TYMSALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL6964698 | 0.75 | LMNA (0.36) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7078935 | 0.75 | SLC6A9 (0.34) | TYMSGRM5ALDH1A1LMNACYP1A2 | |
| SCHEMBL7079911 | 0.75 | SLC2A1 (0.34) | TYMSALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL6973717 | 0.73 | LMNA (0.35) | ALDH1A1LMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7081642 | 0.73 | TP53 (0.39) | TYMSGRM5LMNAHPGDMEN1 |
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 |