Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.51 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16747758 | 0.88 | CA1 (0.64) | L3MBTL1MEN1KMT2ANLRP3CA1 | |
| SCHEMBL1656898 | 0.83 | L3MBTL1 (1.00) | L3MBTL1MEN1KMT2ACA1CA2 | |
| SCHEMBL5177163 | 0.82 | NLRP3 (0.62) | NLRP3CA1CA2HSD17B2LMNA | |
| SCHEMBL26625402 | 0.82 | NLRP3 (0.62) | NLRP3CA1CA2HSD17B2ALDH1A1 | |
| SCHEMBL1748615 | 0.78 | ALDH1A1 (0.75) | L3MBTL1MEN1KMT2ANLRP3CA1 | |
| SCHEMBL13199178 | 0.78 | NPC1 (0.55) | L3MBTL1MEN1KMT2ANLRP3ALDH1A1 | |
| SCHEMBL2810721 | 0.78 | SRC (0.73) | L3MBTL1MEN1KMT2AALDH1A1ERCC1 | |
| SCHEMBL24439952 | 0.78 | NLRP3 (0.64) | L3MBTL1MEN1KMT2ANLRP3CA1 | |
| SCHEMBL29605976 | 0.78 | NLRP3 (0.64) | L3MBTL1MEN1KMT2ANLRP3CA1 | |
| SCHEMBL8480688 | 0.76 | PKM (0.53) | KMT2ANLRP3ERCC1ERCC4LMNA |
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-105294458-A | Antineoplastic small molecular compound and preparation method and application thereof | FOURTH MILITARY MEDICAL UNIV | 2016-02-03 | — | — | CN | claimed |
| CN-105294458-B | A kind of anti-tumor small molecular compound and its preparation method and application | 中国人民解放军第四军医大学 | 2017-07-11 | — | — | CN | disclosed |
| CN-105294458-A | Antineoplastic small molecular compound and preparation method and application thereof | FOURTH MILITARY MEDICAL UNIV | 2016-02-03 | — | — | CN | disclosed |
| CN-105294458-A | Antineoplastic small molecular compound and preparation method and application thereof | FOURTH MILITARY MEDICAL UNIV | 2016-02-03 | — | — | CN | disclosed |