Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9065625 | 1.00 | CYP3A4 (0.61) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL4677833 | 1.00 | CYP3A4 (0.61) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL7180366 | 0.97 | CYP3A4 (0.58) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL7443468 | 0.97 | CYP3A4 (0.58) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL2954848 | 0.91 | CYP3A4 (0.62) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL893460 | 0.91 | CYP3A4 (0.62) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL9005012 | 0.89 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL893045 | 0.87 | CYP3A4 (0.61) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL4961170 | 0.87 | CYP3A4 (0.61) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 | |
| SCHEMBL4956629 | 0.87 | CYP3A4 (0.61) | CYP3A4MEN1SLC22A2SLC22A1ABCC3 |
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-5565418-A | PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING | ABBOTT LABORATORIES (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0674513-B1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LAB (US) | 1996-09-25 | — | — | EP | disclosed |