Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.54 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.54 |
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.47 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | NCS1 | P62166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26795955 | 0.86 | NR1H4 (0.59) | NPC1RAB9AKDM4ECYP2C19ALDH1A1 | |
| SCHEMBL24901813 | 0.84 | CFTR (0.67) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL20384958 | 0.82 | KDM4E (0.58) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL422034 | 0.82 | ALDH1A1 (0.71) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL27171750 | 0.81 | DUSP3 (0.46) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL1003490 | 0.81 | CFTR (0.54) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL426613 | 0.81 | KDM4E (0.53) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL422122 | 0.80 | NPC1 (0.53) | NPC1RAB9AAVPR2GPR27CFTR | |
| SCHEMBL4797114 | 0.80 | KDM4E (0.51) | NPC1RAB9ACFTRKDM4ECYP2C19 | |
| SCHEMBL13407781 | 0.79 | KDM4E (0.64) | GPR27CFTRKDM4EALDH1A1HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2742024-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | Georgia Tech Research Corporation (US) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013023107-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023109-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (COUPLED TRICYCLIC CORE COMPOUNDS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023106-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ACYL MOIETIES) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013023108-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (HETEROARYLENE SPACER MOIETY) | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-02-14 | — | — | WO | disclosed |
| EP-1737840-A1 | 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005103033-A1 | 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2005-11-03 | — | — | WO | disclosed |