Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KLK7 | P49862 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13044592 | 0.91 | CACNA1B (0.48) | NPC1RAB9APOLBALDH1A1 | |
| SCHEMBL15502795 | 0.90 | STK39 (0.53) | NPC1RAB9APOLB | |
| SCHEMBL13552785 | 0.89 | DNMT1 (0.49) | NPC1RAB9APOLB | |
| SCHEMBL13552799 | 0.89 | LMNA (0.56) | NPC1RAB9APOLBKDM4EALDH1A1 | |
| SCHEMBL13553148 | 0.89 | HDAC6 (0.47) | NPC1RAB9AALDH1A1TRPV1MAPT | |
| SCHEMBL13553141 | 0.89 | TRPV1 (0.42) | NPC1RAB9AAGPAT2TRPV1 | |
| SCHEMBL13552776 | 0.89 | RAB9A (0.57) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL14707399 | 0.88 | TRPV1 (0.46) | NPC1RAB9ATRPV1 | |
| SCHEMBL13043448 | 0.88 | HPGD (0.48) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL13552781 | 0.88 | USP28 (0.52) | ALDH1A1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010144586-A1 | ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING | ABRAXIS BIOSCIENCE, LLC (US) | 2010-12-16 | — | — | WO | disclosed |