Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 18/20 | 0.68 |
| ▸ | KDR | P35968 | 5/20 | 0.68 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21277995 | 0.92 | TGFBR1 (0.57) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074516 | 0.90 | TGFBR1 (0.55) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074454 | 0.88 | TGFBR1 (0.58) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074409 | 0.87 | TGFBR1 (0.70) | TGFBR1KDRCCNT1CDK9MAPK14 | |
| SCHEMBL21733924 | 0.81 | TGFBR1 (0.68) | TGFBR1KDRKARS1CCNT1CDK9 | |
| SCHEMBL20074554 | 0.81 | TGFBR1 (1.00) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074553 | 0.81 | TGFBR1 (1.00) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074556 | 0.81 | TGFBR1 (1.00) | TGFBR1KDRMAPK14 | |
| SCHEMBL20074657 | 0.79 | TGFBR1 (0.70) | TGFBR1KDRKARS1MAPK14 | |
| SCHEMBL21277823 | 0.78 | TGFBR1 (0.57) | TGFBR1KDRMAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3527570-A1 | FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2019-08-21 | — | — | EP | disclosed |
| WO-2018068759-A1 | FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2018-04-19 | — | — | WO | disclosed |