Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PAM | P19021 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17654903 | 0.79 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL19687213 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL13241220 | 0.77 | CHRM2 (0.35) | ALDH1A1PAMALOX5PTGS1PTGS2 | |
| SCHEMBL12855366 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL24434964 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL27786875 | 0.75 | PTGS2 (0.41) | TP53PTGS2CA1CA2CA9 | |
| SCHEMBL20079988 | 0.74 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL13100599 | 0.74 | NFE2L2 (0.52) | ALDH1A1ALOX5PTGS1PTGS2MAPT | |
| SCHEMBL20079993 | 0.73 | NPC1 (0.39) | ALDH1A1HSD17B10TP53TDP1CYP3A4 | |
| SCHEMBL5704309 | 0.73 | NFE2L2 (0.50) | TDP1CYP3A4ALOX5PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |