Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ4 | P56696 | 3/20 | 0.51 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL857284 | 0.86 | HTT (0.55) | KCNQ4KCNQ5CYP17A1POLBNPC1 | |
| SCHEMBL8292291 | 0.84 | KCNQ4 (0.48) | KCNQ4KCNQ5CYP17A1MAPTHTT | |
| SCHEMBL2391319 | 0.84 | CXCR2 (0.53) | POLBNPC1RAB9AMAPTLMNA | |
| SCHEMBL197145 | 0.83 | HDAC1 (0.55) | KCNQ4KCNQ5CYP17A1HDAC3HDAC1 | |
| SCHEMBL16692867 | 0.83 | KCNQ4 (0.47) | KCNQ4KCNQ5CYP17A1RXFP1POLB | |
| SCHEMBL22092641 | 0.83 | KCNQ4 (0.47) | KCNQ4KCNQ5CYP17A1RXFP1POLB | |
| SCHEMBL29581478 | 0.83 | HDAC1 (0.55) | KCNQ4KCNQ5CYP17A1HDAC3HDAC1 | |
| SCHEMBL26426327 | 0.83 | KCNQ4 (0.50) | KCNQ4KCNQ5CYP17A1RXFP1POLB | |
| SCHEMBL13055401 | 0.83 | CA12 (0.49) | KCNQ4KCNQ5CYP17A1RXFP1POLB | |
| SCHEMBL15614546 | 0.83 | MAPT (0.51) | KCNQ4KCNQ5CYP17A1RXFP1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458969-A | (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2017-02-22 | — | — | CN | disclosed |
| WO-2016029839-A1 | (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE | 四川海思科制药有限公司 | 2016-03-03 | — | — | WO | disclosed |
| WO-2006071035-A1 | NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES | LG LIFE SCIENCES, LTD. (KR) | 2006-07-06 | — | — | WO | disclosed |