Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL11623789 | 0.91 | HPGD (0.43) | KDM4EALDH1A1HSD17B10HPGDTYMP | |
| SCHEMBL26093883 | 0.84 | KDM4E (0.44) | KDM4EALDH1A1HSD17B10HPGDTYMP | |
| SCHEMBL8797359 | 0.84 | GFER (0.50) | KDM4EHPGDTYMPNPC1RAB9A | |
| SCHEMBL19625464 | 0.82 | ALPL (0.43) | KDM4EALDH1A1HSD17B10ALPLDCUN1D1 | |
| SCHEMBL16661274 | 0.82 | KDM4E (0.45) | KDM4EHPGDTYMPSMN1; SMN2NR1H2 | |
| SCHEMBL11626212 | 0.82 | KIF11 (0.42) | KDM4EALDH1A1HSD17B10HPGDNPC1 | |
| SCHEMBL3095172 | 0.82 | HPGD (0.38) | KDM4EPTGS2HPGDTYMPNPC1 | |
| SCHEMBL27731893 | 0.82 | NPBWR1 (0.44) | PTGS1PTGS2ALPLDCUN1D1HPGD | |
| SCHEMBL649565 | 0.81 | HPGD (0.56) | KDM4EALDH1A1HSD17B10PTGS1KCNQ3 | |
| SCHEMBL29429388 | 0.81 | NPC1 (0.44) | KDM4EALDH1A1KCNQ3KCNQ2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101239981-B | Pyrazolo and imidazo-pyrimidine derivatives | HOFFMANN LA ROCHE | 2011-01-19 | — | — | CN | disclosed |
| CN-100522964-C | Pyrazolo and imidazo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2009-08-05 | — | — | CN | disclosed |
| CN-101239981-A | Pyrazolo and imidazo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |