Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE2 | O96020 | 3/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.37 |
| ▸ | PRUNE1 | Q86TP1 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL171639 | 0.85 | PAK4 (0.36) | CCNE2CCNE1CDK2ALDH1A1PAK4 | |
| SCHEMBL171458 | 0.84 | NPC1 (0.38) | CCNE2CCNE1CDK2NPC1RAB9A | |
| SCHEMBL171581 | 0.80 | ALDH1A1 (0.39) | POLBALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL98337 | 0.79 | NPC1 (0.47) | NPC1RAB9APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL99392 | 0.78 | NPC1 (0.44) | NPC1RAB9APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL99532 | 0.77 | NPC1 (0.43) | NPC1RAB9APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL169444 | 0.76 | L3MBTL1 (0.35) | ALDH1A1HDAC1LMNAKMT2AMEN1 | |
| SCHEMBL1618820 | 0.76 | NPC1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2CTSB | |
| SCHEMBL98635 | 0.74 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1HDAC1LMNA | |
| SCHEMBL97782 | 0.73 | ALDH1A1 (0.40) | CDK2NPC1RAB9AALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | disclosed |