Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CTSD | P07339 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| A-77003 SCHEMBL6448973 | 0.98 | CA2 (1.00) | CA2CYP2D6CYP1A2MAPTTSHR | |
| A-77003 SCHEMBL8749867 | 0.98 | CA2 (1.00) | CA2CYP2D6CYP1A2MAPTTSHR | |
| A-77003 SCHEMBL7337518 | 0.98 | CA2 (1.00) | CA2CYP2D6CYP1A2MAPTTSHR | |
| A-77003 SCHEMBL2770013 | 0.98 | CA2 (1.00) | CA2CYP2D6CYP1A2MAPTTSHR | |
| A-76928 SCHEMBL6449595 | 0.98 | CA2 (1.00) | CA2CYP2D6CYP1A2MAPTTSHR | |
| SCHEMBL7341491 | 0.93 | CA2 (0.89) | CA2CYP2D6CYP1A2MAPTTSHR | |
| SCHEMBL7305421 | 0.93 | CA2 (0.89) | CA2CYP2D6CYP1A2MAPTTSHR | |
| SCHEMBL7331008 | 0.93 | CA2 (0.89) | CA2CYP2D6CYP1A2MAPTTSHR | |
| SCHEMBL7332039 | 0.91 | CA2 (0.87) | CA2CYP2D6CYP1A2MAPTTSHR | |
| SCHEMBL7330908 | 0.91 | CA2 (0.86) | CA2CYP2D6CYP1A2MAPTTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | EP | disclosed |
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |