Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894903 | 0.85 | FABP7 (0.39) | HSD17B10HPGDTDP1CYP1A2TSHR | |
| SCHEMBL1808224 | 0.78 | ALDH1A1 (0.55) | HSD17B10HPGDALOX15RECQLTDP1 | |
| SCHEMBL29936957 | 0.78 | ESR1 (0.36) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL9097641 | 0.77 | IDO1 (0.46) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL2988058 | 0.77 | IDO1 (0.46) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL4869305 | 0.77 | IDO1 (0.73) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL29351230 | 0.77 | IDO1 (0.73) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL28327 | 0.77 | IDO1 (0.73) | IDO1HSD17B10HPGDALOX15RECQL | |
| SCHEMBL30267598 | 0.75 | — | — | |
| SCHEMBL596947 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117222650-A | Pyridine or pyrimido-ring compound, preparation method and medical application thereof | 劲方医药科技(上海)有限公司 | 2023-12-12 | — | — | CN | disclosed |
| WO-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |