Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 5/20 | 0.53 |
| ▸ | FAAH | O00519 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7460240 | 0.85 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL1274684 | 0.82 | CES1 (0.73) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL5598343 | 0.81 | KEAP1 (0.57) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL11546063 | 0.81 | CES1 (0.52) | KEAP1CES1FAAHALDH1A1SMN1; SMN2 | |
| SCHEMBL9767789 | 0.80 | CES1 (0.47) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7808017 | 0.79 | KEAP1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL17048769 | 0.79 | CES1 (0.50) | KEAP1CES1FAAHALDH1A1HDAC2 | |
| SCHEMBL28345545 | 0.79 | KEAP1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL5235928 | 0.78 | SMN1; SMN2 (0.57) | KEAP1CES1FAAHSMN1; SMN2HIF1A | |
| SCHEMBL29187270 | 0.78 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 |
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 |