Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2704009 | 0.83 | CYP1A2 (0.42) | ALDH1A1HPGDCYP1A2EPHX1 | |
| SCHEMBL911042 | 0.83 | CYP1A2 (0.42) | ALDH1A1HPGDCYP1A2EPHX1 | |
| SCHEMBL96802 | 0.80 | — | — | |
| SCHEMBL5218136 | 0.75 | — | — | |
| SCHEMBL10747737 | 0.74 | ALOX5 (0.42) | ALDH1A1HPGDALOX5CYP1A2EPHX1 | |
| SCHEMBL20173820 | 0.72 | ALDH1A1 (0.36) | ALDH1A1HPGDALOX5 | |
| SCHEMBL910719 | 0.72 | — | — | |
| SCHEMBL10603449 | 0.71 | CYP1A2 (0.46) | ALDH1A1HPGDALOX5CYP1A2EPHX1 | |
| SCHEMBL98082 | 0.70 | — | — | |
| SCHEMBL99022 | 0.70 | CYP1A2 (0.50) | HPGDCYP1A2EPHX1 |
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-6071895-A | RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP | NARHEX LIMITED (HK) | 2000-06-06 | — | — | US | disclosed |
| US-5888992-A | PROTEASE INHIBITOR; VIRICIDE | NARHEX LIMITED (HK) | 1999-03-30 | — | — | US | disclosed |