Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 2/20 | 0.66 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.64 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.64 |
| ▸ | FYN | P06241 | 4/20 | 0.51 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.51 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.51 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28430998 | 1.00 | FTO (0.66) | FTOHSD17B1HSD17B2FYNBMPR1A | |
| SCHEMBL23249859 | 0.80 | FTO (0.51) | FTOHSD17B1HSD17B2FYNDYRK1B | |
| SCHEMBL13680543 | 0.80 | FTO (0.50) | FTOHSD17B1HSD17B2 | |
| SCHEMBL29431804 | 0.79 | HSD17B1 (0.59) | HSD17B1HSD17B2CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL5673332 | 0.79 | HSD17B1 (0.97) | HSD17B1HSD17B2FYNBMPR1ATGFBR1 | |
| SCHEMBL23249732 | 0.79 | FTO (1.00) | FTOHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL979785 | 0.79 | MAP4K4 (0.65) | FTOFYNCYP3A4ABL1FLT3 | |
| SCHEMBL15349707 | 0.78 | PRKCI (0.51) | FTOFYN | |
| SCHEMBL30129857 | 0.77 | FYN (0.60) | HSD17B1HSD17B2FYNBMPR1ATGFBR1 | |
| SCHEMBL30129635 | 0.77 | HSD17B1 (0.47) | FTOHSD17B1HSD17B2FYNBMPR1A |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |