Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 4/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 3/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413833 | 0.92 | CASP1 (0.47) | CASP1ALDH1A1CYP3A4MMP9MMP8 | |
| SCHEMBL7415944 | 0.89 | CASP1 (0.47) | CASP1ALDH1A1ELANECA2 | |
| SCHEMBL7419381 | 0.79 | CASP1 (0.48) | CASP1ELANEMMP3CA2 | |
| SCHEMBL7415572 | 0.77 | CASP1 (0.54) | CASP1BACE1HTRA1 | |
| SCHEMBL9578947 | 0.76 | CA2 (0.47) | CASP1HTRA1CA2 | |
| SCHEMBL7423302 | 0.75 | CASP1 (0.52) | CASP1ELANEHTRA1 | |
| SCHEMBL7419148 | 0.73 | CTSL (0.49) | CASP1CYP3A4ELANE | |
| SCHEMBL7410781 | 0.73 | CASP1 (0.52) | CASP1ELANEMMP3CA2 | |
| SCHEMBL7418881 | 0.73 | ALDH1A1 (0.46) | BACE1ALDH1A1CYP3A4MMP9MMP8 | |
| SCHEMBL9579040 | 0.72 | CASP3 (0.46) | CASP1ELANECA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992017176-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-10-15 | — | — | WO | claimed |
| 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 |