Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 4/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410782 | 0.89 | CASP1 (0.48) | CASP1CA2ALDH1A1ELANE | |
| SCHEMBL7413833 | 0.88 | CASP1 (0.47) | CASP1CTSDALDH1A1ELANE | |
| SCHEMBL9579040 | 0.80 | CASP3 (0.46) | CASP1CA2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7423261 | 0.80 | ELANE (0.47) | CASP1CA2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7411626 | 0.80 | CASP1 (0.47) | CASP1CA2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL9578947 | 0.80 | CA2 (0.47) | CASP1CA2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7416124 | 0.77 | CASP3 (0.49) | CASP1CA2CTSDRENELANE | |
| SCHEMBL7415572 | 0.75 | CASP1 (0.54) | CASP1CTSD | |
| SCHEMBL7334046 | 0.75 | CA2 (0.48) | CASP1CA2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL7423302 | 0.74 | CASP1 (0.52) | CASP1CTSDELANE |
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 |