Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 4/20 | 0.39 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 5/20 | 0.34 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29720980 | 0.91 | TGFBR1 (0.39) | TGFBR1TGFBR2ADORA2AADORA1ELANE | |
| SCHEMBL29720900 | 0.89 | TGFBR1 (0.42) | TGFBR1TGFBR2ADORA2AADORA1ELANE | |
| SCHEMBL29811072 | 0.82 | ELANE (0.43) | TGFBR1TGFBR2ELANEHMGCRPTGDR2 | |
| Hydrochloric Acid SCHEMBL29812369 | 0.81 | ELANE (0.42) | TGFBR1TGFBR2ELANEHMGCRPTGDR2 | |
| SCHEMBL29720973 | 0.79 | TGFBR1 (0.40) | TGFBR1TGFBR2ADORA2AADORA1ELANE | |
| SCHEMBL28346481 | 0.75 | MAP2K1 (0.40) | TGFBR1TGFBR2IKBKBMEN1JAK2 | |
| SCHEMBL29812331 | 0.75 | MAP2K1 (0.39) | IKBKBMEN1JAK2EIF2AK2KMT2A | |
| SCHEMBL21776525 | 0.70 | SMN1; SMN2 (0.41) | MEN1KMT2AKDM4ENPC1ALDH1A1 | |
| SCHEMBL22188195 | 0.70 | ELANE (0.43) | ELANEHMGCRPTGDR2 | |
| SCHEMBL29811076 | 0.70 | MAP2K1 (0.40) | TGFBR1TGFBR2IKBKBMEN1JAK2 |
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-110627796-B | Nitrogenous heterocyclic derivative and application thereof in medicine | 北京越之康泰生物医药科技有限公司 | 2022-07-12 | — | — | CN | disclosed |