Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30961750 | 0.87 | MAPT (0.44) | MDM2KDM4ECACNA1BNPC1RAB9A | |
| SCHEMBL19255038 | 0.76 | CA12 (0.41) | KDM4ECACNA1BRAB9AMEN1ALDH1A1 | |
| SCHEMBL3195065 | 0.76 | HCRTR1 (0.43) | KDM4ECACNA1BRAB9AMEN1ALDH1A1 | |
| SCHEMBL3194957 | 0.76 | HSD17B2 (0.41) | KDM4ECACNA1BNPC1RAB9AMEN1 | |
| SCHEMBL16064638 | 0.76 | CNR2 (0.47) | KDM4EALDH1A1GABRG2GABRB3GABRA5 | |
| SCHEMBL19013032 | 0.73 | L3MBTL1 (0.51) | MDM2KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL30961753 | 0.72 | GABRG2 (0.52) | MDM2KDM4ECACNA1BNPC1RAB9A | |
| SCHEMBL12228528 | 0.72 | MDM2 (0.47) | MDM2KDM4ECACNA1BALDH1A1HPGD | |
| SCHEMBL3196664 | 0.71 | ALDH1A1 (0.37) | MDM2KDM4ECACNA1BRAB9AMEN1 | |
| SCHEMBL4783390 | 0.70 | KDM4E (0.43) | KDM4ENPC1RAB9AALDH1A1MAPT |
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 |