Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31377870 | 1.00 | CA1 (0.45) | CA1CA2PTGS2CA9CA12 | |
| SCHEMBL18289524 | 0.85 | CA1 (0.50) | CA1CA2CA9CA12MEN1 | |
| SCHEMBL6906905 | 0.85 | CA1 (0.50) | CA1CA2CA9CA12MEN1 | |
| SCHEMBL5351657 | 0.84 | CA1 (0.51) | CA1CA2MEN1KMT2ABCHE | |
| SCHEMBL8207005 | 0.82 | CA1 (0.41) | CA1CA2CA9CA12MEN1 | |
| SCHEMBL31617976 | 0.82 | CNR2 (0.42) | CA1CA9CA12KMT2ABCHE | |
| SCHEMBL18289526 | 0.82 | CYP19A1 (0.50) | CA1CA2CA9CA12MEN1 | |
| SCHEMBL7723991 | 0.82 | ALDH1A1 (0.46) | CA1CA2CA9CA12BCHE | |
| SCHEMBL948326 | 0.81 | CNR2 (0.56) | CA1CA2MEN1KMT2ABCHE | |
| SCHEMBL29275235 | 0.80 | CYP24A1 (0.39) | CA1CA9CA12KMT2ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |
| WO-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |