Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 4/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9595767 | 0.93 | POLB (0.48) | CYP2C19POLBCYP3A4GLAMMP8 | |
| SCHEMBL7270109 | 0.85 | CYP2C19 (0.54) | CYP2C19POLBCYP3A4GLAMMP8 | |
| SCHEMBL7270808 | 0.81 | CYP2C19 (0.50) | CYP2C19POLBCYP3A4GLAMMP8 | |
| SCHEMBL7270113 | 0.79 | POLB (0.56) | CYP2C19POLBCYP3A4FNTAFNTB | |
| SCHEMBL12871199 | 0.78 | POLB (0.55) | CYP2C19POLBCYP3A4GLAMMP8 | |
| SCHEMBL7279514 | 0.78 | CYP2C19 (0.47) | CYP2C19POLBCYP3A4GLAMMP8 | |
| SCHEMBL7276171 | 0.77 | ADORA3 (0.52) | CYP3A4MMP8MMP3ACE | |
| SCHEMBL9596147 | 0.76 | POLB (0.65) | CYP2C19POLBCYP3A4MMP8MMP3 | |
| SCHEMBL18711805 | 0.76 | POLB (0.65) | CYP2C19POLBCYP3A4GLAHDAC8 | |
| SCHEMBL18711811 | 0.76 | POLB (0.61) | CYP2C19POLBCYP3A4HDAC8ACE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |