Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629114 | 0.91 | ALDH1A1 (0.36) | ALDH1A1TSHRPOLBPTGS2GAA | |
| SCHEMBL8628839 | 0.90 | EDNRB (0.41) | ALDH1A1TSHRPOLBPTGS2EDNRB | |
| SCHEMBL8632202 | 0.89 | MAPT (0.39) | ALDH1A1POLBPTGS2GAAKMT2A | |
| SCHEMBL8630859 | 0.88 | PTGS2 (0.44) | POLBPTGS2EDNRBEDNRAKMT2A | |
| SCHEMBL8633058 | 0.88 | PTGS2 (0.44) | ALDH1A1TSHRPOLBPTGS2GAA | |
| SCHEMBL8631576 | 0.87 | MAPT (0.41) | ALDH1A1POLBPTGS2GAAEDNRB | |
| SCHEMBL8631393 | 0.87 | KMT2A (0.42) | ALDH1A1POLBGAAKMT2ASMN1; SMN2 | |
| SCHEMBL8629382 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRPOLBPTGS2GAA | |
| SCHEMBL8634392 | 0.85 | PTGS2 (0.48) | ALDH1A1TSHRPOLBPTGS2GAA | |
| SCHEMBL8632637 | 0.84 | EDNRB (0.40) | ALDH1A1TSHRPOLBPTGS2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |