Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 7/20 | 0.42 |
| ▸ | TGFBR2 | P37173 | 5/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | 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 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
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 | 0.89 | TGFBR1 (0.39) | TGFBR1TGFBR2TNIKADORA2AADORA1 | |
| SCHEMBL29720962 | 0.89 | TGFBR1 (0.39) | TGFBR1TGFBR2TNIKADORA2AADORA1 | |
| SCHEMBL29811072 | 0.87 | ELANE (0.43) | TGFBR1TGFBR2HMGCRPTGDR2ELANE | |
| Hydrochloric Acid SCHEMBL29812369 | 0.86 | ELANE (0.42) | TGFBR1TGFBR2HMGCRPTGDR2ELANE | |
| SCHEMBL29720973 | 0.84 | TGFBR1 (0.40) | TGFBR1TGFBR2TNIKADORA2AADORA1 | |
| SCHEMBL28346481 | 0.82 | MAP2K1 (0.40) | TGFBR1TGFBR2CA12CA1CA2 | |
| SCHEMBL29720714 | 0.76 | MEN1 (0.44) | TGFBR1TGFBR2CA12CA1CA2 | |
| SCHEMBL21776525 | 0.75 | SMN1; SMN2 (0.41) | PTGDR2MEN1KMT2A | |
| SCHEMBL22188195 | 0.75 | ELANE (0.43) | HMGCRPTGDR2ELANE | |
| SCHEMBL29720960 | 0.74 | MEN1 (0.48) | TGFBR1TGFBR2MEN1KMT2A |
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 |