Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446187 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL6444920 | 0.99 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL6444915 | 0.99 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL6448199 | 0.88 | TDP1 (0.45) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL6448194 | 0.88 | TDP1 (0.45) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL7270231 | 0.87 | ITGB3 (0.40) | ALDH1A1KDM4EATMACACBKMT2A | |
| SCHEMBL7270239 | 0.87 | ITGB3 (0.40) | ALDH1A1KDM4EATMACACBKMT2A | |
| Lithium Ion SCHEMBL6446186 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL25669794 | 0.83 | HRH3 (0.50) | ALDH1A1KDM4EHPGDATMACACB | |
| SCHEMBL6442995 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1ATMTSHRKMT2ALMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| 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 |
| 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 |