Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415350 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| SCHEMBL7418519 | 0.83 | SLC15A1 (0.42) | — | |
| SCHEMBL7418523 | 0.83 | SLC15A1 (0.42) | — | |
| SCHEMBL27345872 | 0.74 | SLC15A1 (0.44) | CYP2D6 | |
| SCHEMBL8853856 | 0.73 | ALDH1A1 (0.38) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| SCHEMBL10622532 | 0.72 | EPHX1 (0.48) | CYP2D6 | |
| SCHEMBL6556276 | 0.72 | EPHX1 (0.48) | CYP2D6 | |
| SCHEMBL6894985 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| SCHEMBL3348729 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2D6MAPTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5711578 | 0.71 | EPHX1 (0.47) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5256677-A | Enzyme inhibitor for treating acquired immune deficiency syndrome | ABBOTT LABORATORIES (US) | 1993-10-26 | — | — | US | disclosed |
| WO-1992017176-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-10-15 | — | — | WO | disclosed |
| US-5151438-A | Enzyme inhibitors for treatment of aids | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |