Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL26126982 | 0.83 | PKM (0.54) | KMT2APKMALDH1A1TP53RECQL | |
| Trifluoroacetic Acid SCHEMBL26126970 | 0.83 | PKM (0.54) | KMT2APKMALDH1A1TP53RECQL | |
| Trifluoroacetic Acid SCHEMBL26126978 | 0.83 | PKM (0.54) | KMT2APKMALDH1A1TP53RECQL | |
| SCHEMBL12310930 | 0.81 | PKM (0.66) | KMT2APKMALDH1A1TP53RECQL | |
| SCHEMBL4747916 | 0.81 | PKM (0.66) | KMT2APKMALDH1A1TP53RECQL | |
| SCHEMBL19324336 | 0.81 | PKM (0.66) | KMT2APKMALDH1A1TP53RECQL | |
| SCHEMBL21003864 | 0.79 | KMT2A (0.76) | KMT2APKMALDH1A1TP53TSHR | |
| SCHEMBL4746610 | 0.79 | ANPEP (0.57) | KMT2AALDH1A1CYP3A4 | |
| SCHEMBL8155147 | 0.79 | ANPEP (0.57) | KMT2AALDH1A1CYP3A4 | |
| SCHEMBL7432155 | 0.79 | ANPEP (0.57) | KMT2AALDH1A1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5430150-A | N-(1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methyl -butyl)-3-(((1,1-dimethylethyl)amino)-carbonyl)decahydro-gamma-hydroxyalpha -(phenylmethyl)-2-isoquinolinepentanamide compounds; AIDS | AMERICAN CYANAMID COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0602306-A1 | Retroviral protease inhibitors | AMERICAN CYANAMID COMPANY (US) | 1994-06-22 | — | — | EP | disclosed |