Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17814737 | 0.83 | ALDH1A1 (0.41) | TNFCXCL8SOS1NOD2NOD1 | |
| SCHEMBL28547235 | 0.81 | RAB9A (0.45) | TNFCXCL8SOS1NOD2NOD1 | |
| SCHEMBL28537635 | 0.79 | TSHR (0.37) | TNFCXCL8SOS1NOD2NOD1 | |
| SCHEMBL17814735 | 0.73 | PNP (0.57) | TLR7TLR8KMT2A | |
| SCHEMBL29172435 | 0.73 | P2RX3 (0.42) | NOD1GAALMNA | |
| SCHEMBL28548723 | 0.69 | BACE1 (0.32) | KDM4ESMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL28538573 | 0.68 | ALDH1A1 (0.39) | NOD1ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL30804819 | 0.68 | BRD4 (0.42) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL11719377 | 0.68 | P2RX3 (0.54) | ALDH1A1KDM4ESMN1; SMN2TSHRPOLB | |
| SCHEMBL10795638 | 0.66 | CLPP (0.48) | TNFCXCL8SOS1NOD2NOD1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409331-B | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2017209267-A1 | PURINE DERIVATIVE | 塩野義製薬株式会社 | 2017-12-07 | — | — | WO | disclosed |
| WO-2016088838-A1 | PURINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | 塩野義製薬株式会社 | 2016-06-09 | — | — | WO | disclosed |