Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.42 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1838455 | 0.80 | ADRB1 (0.48) | — | |
| SCHEMBL1837158 | 0.78 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL1838922 | 0.78 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL1840538 | 0.78 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL28092876 | 0.78 | NPSR1 (0.43) | ALDH1A1ASAH1ACER2POLBPPARG | |
| Ammonia Solution, Strong SCHEMBL27725772 | 0.77 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL28405619 | 0.75 | ALDH1A1 (0.48) | ALDH1A1ASAH1ACER2POLBCA1 | |
| SCHEMBL28405618 | 0.75 | ALDH1A1 (0.48) | ALDH1A1ASAH1ACER2POLBCA1 | |
| SCHEMBL8496763 | 0.75 | ALDH1A1 (0.48) | ALDH1A1ASAH1ACER2POLBCA1 | |
| SCHEMBL585575 | 0.75 | ADRB1 (0.49) | — |
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-5712268-A | Compositions of tricyclic β-lactams and uses thereof | HOFFMANN-LA ROCHE INC. (US) | 1998-01-27 | — | — | US | disclosed |
| US-5698577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |