Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 4/20 | 0.49 |
| ▸ | CPA3 | P15088 | 3/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.49 |
| ▸ | CPB1 | P15086 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 3/20 | 0.48 |
| ▸ | PPARA | Q07869 | 3/20 | 0.48 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5418308 | 0.80 | CYP1A2 (0.51) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL5426274 | 0.79 | CYP1A2 (0.50) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL4663230 | 0.79 | CYP1A2 (0.65) | CYP1A2KMT2ACPA1CPA3FOLH1 | |
| SCHEMBL7322955 | 0.78 | CYP1A2 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7322967 | 0.78 | CYP1A2 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7322961 | 0.78 | CYP1A2 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL1373606 | 0.76 | CPA3 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL828089 | 0.76 | KMT2A (0.50) | KMT2AMEN1HTTMMP2 | |
| SCHEMBL7348126 | 0.75 | CYP1A2 (0.61) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7348130 | 0.75 | CYP1A2 (0.61) | CYP1A2CPA1CPA3FOLH1CPB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | disclosed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | disclosed |