Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969719 | 0.90 | ALDH1A1 (0.35) | CYP2D6CYP2C9CYP2C19RECQLMAPT | |
| SCHEMBL7081406 | 0.90 | IRAK4 (0.37) | CYP2D6CYP2C9CYP2C19RECQLMAPT | |
| SCHEMBL6969746 | 0.90 | MEN1 (0.40) | CYP2D6CYP2C9CYP2C19RECQLMAPT | |
| SCHEMBL7080305 | 0.89 | LMNA (0.42) | CYP2D6CYP2C9CYP2C19RECQLMAPT | |
| SCHEMBL6969486 | 0.86 | LMNA (0.37) | CYP2D6CYP2C9CYP2C19RECQLMAPT | |
| SCHEMBL6969926 | 0.85 | TP53 (0.36) | KMT2AMEN1HPGDTDP1ALDH1A1 | |
| SCHEMBL6969410 | 0.85 | TOP2A (0.35) | CYP2D6CYP2C9CYP2C19MAPTHPGD | |
| SCHEMBL6973270 | 0.84 | TOP2A (0.46) | CYP2C9CYP2C19MAPTKMT2AMEN1 | |
| SCHEMBL7082873 | 0.84 | CFTR (0.40) | MAPTKMT2AMEN1TDP1ALDH1A1 | |
| SCHEMBL7085473 | 0.84 | MEN1 (0.35) | CYP2D6CYP2C9CYP2C19RECQLMAPT |
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 |