Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TAF1 | P21675 | 1/20 | 0.40 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | TAB1 | Q15750 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826311 | 0.89 | MAP3K7 (0.46) | HSD17B10ALDH1A1GAAKMT2AKDM4E | |
| SCHEMBL6925074 | 0.81 | IP6K1 (0.40) | BRD4 | |
| SCHEMBL6826464 | 0.72 | PARP1 (0.50) | ALDH1A1BRD4MEN1KMT2A | |
| SCHEMBL6923430 | 0.69 | HTT (0.43) | HTTBRD4GAA | |
| SCHEMBL6924211 | 0.69 | KMT2A (0.44) | HSD17B10TP53ALDH1A1GAAKMT2A | |
| SCHEMBL6826241 | 0.69 | ABCC1 (0.43) | HTTNPSR1ALDH1A1BRD4 | |
| SCHEMBL20058392 | 0.66 | ALDH1A1 (0.52) | HSD17B10SMN1; SMN2NPSR1TP53ALDH1A1 | |
| SCHEMBL7121916 | 0.65 | SMN1; SMN2 (0.77) | SMN1; SMN2HTTNPSR1TP53ALDH1A1 | |
| SCHEMBL19657112 | 0.65 | HTT (0.47) | HSD17B10SMN1; SMN2HTTTP53ALDH1A1 | |
| SCHEMBL7361803 | 0.65 | HDAC1 (0.46) | HSD17B10SMN1; SMN2HTTNPSR1TP53 |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |