Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.56 |
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6783862 | 0.92 | NPC1 (0.65) | NPC1RAB9AHDAC6KDM4EL3MBTL1 | |
| SCHEMBL6790005 | 0.85 | HDAC6 (0.56) | NPC1RAB9AHDAC6KDM4EL3MBTL1 | |
| SCHEMBL6785535 | 0.85 | NPC1 (0.53) | NPC1RAB9AHDAC6KDM4EL3MBTL1 | |
| SCHEMBL6888788 | 0.82 | TP53 (0.58) | NPC1RAB9AHDAC6KDM4ETSHR | |
| SCHEMBL6887169 | 0.81 | RAB9A (0.51) | NPC1RAB9AHDAC6KDM4ETSHR | |
| SCHEMBL28490940 | 0.79 | HDAC6 (0.63) | NPC1RAB9AHDAC6KDM4EL3MBTL1 | |
| SCHEMBL6893111 | 0.78 | TP53 (0.54) | NPC1RAB9AHDAC6KDM4ETSHR | |
| SCHEMBL6892515 | 0.78 | HDAC6 (0.52) | NPC1RAB9AHDAC6KDM4EL3MBTL1 | |
| SCHEMBL6783727 | 0.77 | TP53 (0.50) | NPC1RAB9AHDAC6KDM4EALDH1A1 | |
| SCHEMBL2455341 | 0.77 | NPC1 (0.67) | NPC1RAB9AHDAC6KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6815442-B2 | A PHENOXY-ALKYL-QUINOXALINONE DERIVATIVES FOR INHIBITING DRUG TRANSPORT PROTEINS THAT EFFLUX THERAPEUTIC AGENTS FROM CELLS; SYNERGISTIC | THE PENN STATE RESEARCH FOUNDATION | 2004-11-09 | — | — | US | claimed |