Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6823379 | 1.00 | ALDH1A1 (0.77) | ALDH1A1KMT2AMAPK1PTGS2PTGS1 | |
| SCHEMBL6823181 | 0.99 | ALDH1A1 (0.78) | ALDH1A1KMT2AMAPK1PTGS2PTGS1 | |
| SCHEMBL6918168 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPK1PTGS2PTGS1 | |
| SCHEMBL6819330 | 0.78 | ALDH1A1 (0.98) | ALDH1A1KMT2AMAPK1PTGS2PTGS1 | |
| SCHEMBL6922023 | 0.64 | ALDH1A1 (0.45) | ALDH1A1KMT2AMAPK1TSHRNPSR1 | |
| SCHEMBL6922029 | 0.64 | ALDH1A1 (0.45) | ALDH1A1KMT2AMAPK1TSHRNPSR1 | |
| SCHEMBL6920602 | 0.63 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAPK1TSHRNPSR1 | |
| SCHEMBL17221719 | 0.63 | ALDH1A1 (0.48) | ALDH1A1KMT2AMAPK1TSHRNPSR1 | |
| SCHEMBL17221720 | 0.63 | ALDH1A1 (0.48) | ALDH1A1KMT2AMAPK1TSHRNPSR1 | |
| SCHEMBL6920603 | 0.63 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAPK1TSHRNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |