Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28214814 | 0.82 | KMT2A (0.50) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL28177685 | 0.81 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL28404165 | 0.80 | KCNK3 (0.54) | NPC1RAB9ASMN1; SMN2HDAC8HDAC6 | |
| SCHEMBL29534771 | 0.75 | GPR17 (0.65) | RAB9ASMN1; SMN2HDAC8HDAC6KCNK3 | |
| SCHEMBL40429 | 0.75 | GPR17 (0.65) | RAB9ASMN1; SMN2HDAC8HDAC6KCNK3 | |
| SCHEMBL28289702 | 0.75 | GPR17 (0.65) | RAB9ASMN1; SMN2HDAC8HDAC6KCNK3 | |
| SCHEMBL27453283 | 0.74 | PARP1 (0.59) | NPC1RAB9ASMN1; SMN2HDAC8HDAC6 | |
| SCHEMBL27417865 | 0.74 | PARP1 (0.55) | NPC1RAB9ASMN1; SMN2HDAC8HDAC6 | |
| SCHEMBL10405231 | 0.73 | NLRP3 (0.41) | LMNAL3MBTL1MAPTKMT2AGAA | |
| SCHEMBL6644932 | 0.73 | PARP1 (0.57) | NPC1RAB9ASMN1; SMN2L3MBTL1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101687792-B | Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and medical application thereof | YU CHONGXI (US) | 2016-03-02 | — | — | CN | disclosed |