Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 6/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | C1R | P00736 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17068993 | 0.81 | RAB9A (0.53) | RAB9ASMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL2228307 | 0.79 | ENPP3 (0.39) | HDAC1HDAC8HDAC6RAB9ASMN1; SMN2 | |
| SCHEMBL17544821 | 0.78 | PDE4B (0.53) | RAB9ASMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL5539380 | 0.78 | NPC1 (0.50) | RAB9ASMN1; SMN2NPC1TP53NFKB1 | |
| SCHEMBL23176775 | 0.75 | TGFBR1 (0.38) | ALDH1A1TSHRKDM4ETGFBR1ENPP3 | |
| SCHEMBL2658919 | 0.74 | RAB9A (0.64) | RAB9ASMN1; SMN2NPC1TP53NFKB1 | |
| SCHEMBL6965803 | 0.74 | HDAC1 (0.50) | HDAC1HDAC8HDAC6RAB9ASMN1; SMN2 | |
| SCHEMBL31607735 | 0.74 | KDM4E (0.56) | HDAC1HDAC8HDAC6RAB9ASMN1; SMN2 | |
| SCHEMBL24181630 | 0.73 | TGFBR1 (0.37) | HDAC1HDAC8HDAC6NFKB1NFKB2 | |
| SCHEMBL1200783 | 0.72 | CCR1 (0.44) | RAB9ASMN1; SMN2TP53MAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3492461-A1 | NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |