Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | QDPR | P09417 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28551485 | 0.92 | QDPR (0.55) | MAPTNPSR1QDPRPOLBPKM | |
| SCHEMBL28543598 | 0.86 | NAMPT (0.52) | MAPTNPSR1QDPRKMT2A | |
| SCHEMBL28614009 | 0.84 | KMT2A (0.47) | MAPTNPSR1POLBPKMKMT2A | |
| SCHEMBL27037449 | 0.82 | QDPR (0.54) | MAPTQDPRKMT2AALDH1A1NPC1 | |
| SCHEMBL17398277 | 0.81 | QDPR (0.47) | QDPRKMT2AHTTALDH1A1NPC1 | |
| SCHEMBL3986410 | 0.81 | QDPR (0.44) | MAPTNPSR1QDPRKMT2AHTT | |
| SCHEMBL3986414 | 0.81 | QDPR (0.44) | MAPTNPSR1QDPRKMT2AHTT | |
| SCHEMBL16262930 | 0.81 | MAPT (0.50) | MAPTNPSR1QDPRPOLBKMT2A | |
| SCHEMBL17398284 | 0.81 | QDPR (0.47) | QDPRKMT2AHTTALDH1A1NPC1 | |
| SCHEMBL16262927 | 0.81 | MAPT (0.50) | MAPTNPSR1QDPRPOLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107400092-B | Pyrimidine derivative, preparation method thereof and application thereof in medicine | 浙江海正药业股份有限公司 | 2021-08-24 | — | — | CN | disclosed |
| CN-108264511-B | Heterocyclic derivative, preparation method thereof and application thereof in medicine | 浙江海正药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |