Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447920 | 0.98 | KDM4E (0.43) | KDM4EALDH1A1KDM4CCYP2C19CYP1A2 | |
| SCHEMBL5711205 | 0.98 | KDM4E (0.43) | KDM4EALDH1A1KDM4CCYP2C19CYP1A2 | |
| Lithium SCHEMBL7270041 | 0.97 | KDM4E (0.42) | KDM4EALDH1A1KDM4CCYP2C19CYP1A2 | |
| SCHEMBL7339063 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL7339055 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1CYP2C19CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL7308065 | 0.81 | MEN1 (0.52) | KDM4EALDH1A1KDM4CCYP1A2TDP1 | |
| SCHEMBL7279963 | 0.81 | MEN1 (0.52) | KDM4EALDH1A1KDM4CCYP1A2TDP1 | |
| Lithium Ion SCHEMBL7270031 | 0.81 | CYP1A2 (0.38) | KDM4EALDH1A1KDM4CCYP2C19CYP1A2 | |
| SCHEMBL6447284 | 0.81 | RAB9A (0.49) | ALDH1A1CYP1A2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6447936 | 0.81 | RAB9A (0.49) | ALDH1A1CYP1A2SMN1; SMN2MEN1KMT2A |
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 |