Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL10076720 | 0.79 | CYP2A6 (0.42) | CA2CYP2A6ERN1NPC1RAB9A | |
| SCHEMBL4803355 | 0.77 | CA2 (0.55) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5153435 | 0.76 | NPC1 (0.50) | HDAC4HDAC2HDAC8SLC9A1CYP2A6 | |
| SCHEMBL24447297 | 0.75 | CA2 (0.57) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12095346 | 0.75 | CYP2A6 (0.53) | SLC9A1CYP2A6ERN1ALDH1A1L3MBTL1 | |
| SCHEMBL28020760 | 0.75 | CA2 (0.57) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12095302 | 0.74 | CYP2A6 (0.52) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12095282 | 0.74 | CYP2A6 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4861203 | 0.74 | CYP2A6 (0.52) | CA2SLC9A1CYP2A6ALDH1A1ALOX15 | |
| SCHEMBL2173724 | 0.74 | CA2 (0.59) | CA2HDAC3HDAC4HDAC1HDAC7 |
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-103992310-B | One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor | 中国医学科学院医药生物技术研究所 | 2016-07-06 | — | — | CN | disclosed |