Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.58 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5372614 | 0.89 | CYP3A4 (0.66) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5365281 | 0.87 | ABCC3 (0.60) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5416267 | 0.86 | CYP3A4 (0.61) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5372541 | 0.85 | ABCC3 (0.59) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL2058974 | 0.85 | CYP3A4 (0.62) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5377295 | 0.83 | CYP3A4 (0.57) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5365255 | 0.83 | CYP3A4 (0.59) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5373927 | 0.83 | CYP3A4 (0.75) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5368791 | 0.82 | CYP3A4 (0.58) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL30261823 | 0.82 | ABCC3 (0.65) | CYP3A4ABCC3ABCC4ABCB11PGR |
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-7279582-B2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 2007-10-09 | — | — | US | disclosed |
| US-6284767-B1 | AIDS; MIXTURE WITH ENZYME INHIBITOR | ABBOTT LABORATORIES | 2001-09-04 | — | — | US | disclosed |