Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTPRA | P18433 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6449597 | 0.99 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7433502 | 0.87 | CYP1A2 (0.38) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7269049 | 0.83 | LMNA (0.47) | CYP1A2MAPTCYP2C19CYP3A4KDM4E | |
| SCHEMBL7270433 | 0.83 | TSHR (0.56) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL6447519 | 0.82 | LMNA (0.48) | CYP1A2MAPTCYP2C19CYP3A4KDM4E | |
| SCHEMBL9740522 | 0.82 | LMNA (0.48) | CYP1A2MAPTCYP2C19CYP3A4KDM4E | |
| SCHEMBL7275895 | 0.82 | PGR (0.47) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7278089 | 0.82 | CA2 (0.53) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL6447678 | 0.82 | PGR (0.46) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL9741338 | 0.82 | CA2 (0.52) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR |
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-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 |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |