Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | ITK | Q08881 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL23962996 | 0.90 | AURKA (0.52) | AURKAAURKBITKNTRK1KDR | |
| SCHEMBL23962995 | 0.83 | HDAC1 (0.57) | AURKAAURKBITKNTRK1HDAC1 | |
| SCHEMBL23929029 | 0.83 | HDAC1 (0.69) | AURKAAURKBHDAC1MAPTAPOBEC3A | |
| SCHEMBL23962997 | 0.81 | HDAC1 (0.69) | AURKAAURKBNTRK1HDAC1MAPT | |
| SCHEMBL23929030 | 0.80 | HDAC1 (0.55) | AURKAAURKBITKNTRK1KDR | |
| SCHEMBL23962990 | 0.80 | HDAC1 (0.52) | AURKAAURKBITKNTRK1HDAC1 | |
| SCHEMBL28636876 | 0.78 | HDAC1 (0.49) | AURKAAURKBITKNTRK1HDAC1 | |
| SCHEMBL28636724 | 0.78 | ITK (0.48) | AURKAAURKBITKKDRIGF1R | |
| SCHEMBL28381758 | 0.77 | HDAC1 (0.74) | AURKAAURKBHDAC1 | |
| SCHEMBL23962987 | 0.77 | HDAC1 (0.48) | AURKAAURKBITKNTRK1HDAC1 |
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-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 |