Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL171640 | 0.84 | CCNE2 (0.44) | NPC1RAB9APOLBCTSBDAO | |
| SCHEMBL98337 | 0.75 | NPC1 (0.47) | NPC1RAB9APOLBCTSBDAO | |
| SCHEMBL99392 | 0.74 | NPC1 (0.44) | NPC1RAB9APOLBCTSBDAO | |
| SCHEMBL99532 | 0.73 | NPC1 (0.43) | NPC1RAB9APOLBCTSBDAO | |
| SCHEMBL171639 | 0.71 | PAK4 (0.36) | HDAC1CCNE2CCNE1CDK2TP53 | |
| SCHEMBL98635 | 0.70 | ALDH1A1 (0.52) | NPC1RAB9AHDAC1TP53LMNA | |
| SCHEMBL1618820 | 0.70 | NPC1 (0.40) | NPC1RAB9ACTSBDAOHDAC1 | |
| SCHEMBL97782 | 0.70 | ALDH1A1 (0.40) | NPC1RAB9AHDAC1CDK2LMNA | |
| SCHEMBL99099 | 0.69 | CCNE2 (0.57) | NPC1RAB9APOLBCTSBCCNE2 | |
| SCHEMBL100364 | 0.69 | NPC1 (0.39) | NPC1RAB9ACTSBDAOHDAC1 |
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 |