Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8164980 | 0.94 | CYP2B6 (0.46) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL10845833 | 0.91 | CYP2B6 (0.44) | CYP2B6TBXAS1CYP19A1HRH3CYP11B1 | |
| SCHEMBL6174188 | 0.84 | TBXAS1 (0.52) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| SCHEMBL11051486 | 0.84 | CYP2B6 (0.68) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| SCHEMBL11050188 | 0.84 | CYP2B6 (0.68) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| Iodide SCHEMBL16164357 | 0.82 | CYP2B6 (0.66) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| SCHEMBL13350294 | 0.82 | TBXAS1 (0.54) | CYP2B6TBXAS1CYP19A1HRH3HRH4 | |
| SCHEMBL1088292 | 0.77 | CYP2B6 (0.68) | CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL18505978 | 0.77 | TBXAS1 (0.48) | CYP2B6TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11047220 | 0.76 | CYP2B6 (0.61) | CYP2B6TBXAS1CYP19A1HRH3HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |