Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.60 |
| ▸ | NCOR1 | O75376 | 3/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23962995 | 0.91 | HDAC1 (0.57) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL23962997 | 0.89 | HDAC1 (0.69) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL23962990 | 0.85 | HDAC1 (0.52) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL23929030 | 0.84 | HDAC1 (0.55) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL28638833 | 0.83 | HDAC1 (0.70) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL23929024 | 0.83 | AURKA (0.53) | HDAC1MAPTPKMAPOBEC3AAPOBEC3G | |
| SCHEMBL28378629 | 0.82 | HDAC1 (1.00) | HDAC1AURKAAURKB | |
| SCHEMBL23962996 | 0.81 | AURKA (0.52) | HDAC1SMN1; SMN2AURKAAURKB | |
| SCHEMBL28636876 | 0.80 | HDAC1 (0.49) | HDAC1HDAC3NCOR1HDAC2HDAC4 | |
| SCHEMBL23962998 | 0.79 | HDAC1 (0.57) | HDAC1HDAC3NCOR1HDAC2HDAC4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | claimed |
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | claimed |
| CN-113549057-B | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | disclosed |