Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL6554382 | 0.86 | ALDH1A1 (0.42) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL10877063 | 0.83 | ALDH1A1 (0.35) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL19509051 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL7960667 | 0.77 | TDP1 (0.41) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL10920935 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL6909686 | 0.76 | SLC6A2 (0.50) | TP53ALDH1A1TAAR1SMN1; SMN2LTA4H | |
| SCHEMBL28927876 | 0.75 | ALDH1A1 (0.37) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL813451 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL11146281 | 0.74 | SPHK2 (0.46) | TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2 | |
| SCHEMBL28700615 | 0.74 | KDM4E (0.40) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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 |