Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17795738 | 0.93 | TP53 (0.41) | TP53PDE4AALDH1A1TSHRMME | |
| SCHEMBL6742696 | 0.84 | TP53 (0.38) | TP53PDE4AALDH1A1TSHRTRPA1 | |
| SCHEMBL4224484 | 0.84 | TP53 (0.38) | TP53PDE4AALDH1A1TSHRTRPA1 | |
| SCHEMBL3293344 | 0.84 | TP53 (0.38) | TP53PDE4AALDH1A1TSHRTRPA1 | |
| SCHEMBL97738 | 0.82 | — | — | |
| SCHEMBL7665622 | 0.82 | — | — | |
| SCHEMBL5499838 | 0.82 | — | — | |
| SCHEMBL4744383 | 0.82 | — | — | |
| SCHEMBL667584 | 0.82 | — | — | |
| SCHEMBL18562028 | 0.82 | — | — |
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-8759031-B2 | Type I polyketide synthase extender units | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-06-24 | — | — | US | disclosed |
| US-20080254508-A1 | TYPE I POLYKETIDE SYNTHASE EXTENDER UNITS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2008-10-16 | — | — | US | disclosed |