Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15176440 | 0.84 | BAZ2B (0.40) | AGTR1HTR6PKMSMN1; SMN2CYP2C9 | |
| SCHEMBL28125964 | 0.82 | LMNA (0.39) | POLBTDP1L3MBTL1AGTR1HTR6 | |
| SCHEMBL28974658 | 0.80 | POLB (0.41) | POLBAPEX1TDP1L3MBTL1HDAC4 | |
| SCHEMBL17900455 | 0.77 | PPME1 (0.49) | POLBAPEX1TDP1L3MBTL1HTR6 | |
| SCHEMBL20524816 | 0.76 | ALDH1A1 (0.40) | POLBAPEX1TDP1L3MBTL1AGTR1 | |
| SCHEMBL16540512 | 0.75 | RAPGEF4 (0.56) | POLBL3MBTL1AGTR1PKMCYP2C9 | |
| SCHEMBL22920078 | 0.73 | POLB (0.36) | POLBAPEX1TDP1L3MBTL1HDAC4 | |
| SCHEMBL30599059 | 0.73 | TSHR (0.44) | POLBAPEX1TDP1L3MBTL1PKM | |
| SCHEMBL30599061 | 0.73 | TSHR (0.44) | POLBAPEX1TDP1L3MBTL1PKM | |
| SCHEMBL29512049 | 0.72 | HTR6 (0.38) | AGTR1HTR6APEHPPME1 |
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-106414448-B | It can be used as the new compound of S100- inhibitor | 活跃生物技术有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-106414448-A | Novel compounds useful as s100-inhibitors | 活跃生物技术有限公司 | 2017-02-15 | — | — | CN | disclosed |