Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493251 | 0.84 | HDAC3 (0.41) | HDAC3HSD17B3NAMPTMEN1KMT2A | |
| SCHEMBL15056964 | 0.84 | HDAC3 (0.41) | HDAC3HSD17B3NAMPTMEN1KMT2A | |
| SCHEMBL15056226 | 0.83 | P2RX4 (0.39) | P2RX4HDAC3HSD17B3NOTUMBCHE | |
| SCHEMBL323681 | 0.83 | MAPK1 (0.45) | HDAC3HSD17B3NAMPTMEN1KMT2A | |
| SCHEMBL324810 | 0.83 | LIPE (0.44) | HDAC3HSD17B3KMT2ABCHESMN1; SMN2 | |
| SCHEMBL324830 | 0.83 | LIPE (0.44) | TAS1R3TAS1R1TAS1R2BCHESMN1; SMN2 | |
| SCHEMBL323769 | 0.83 | TSHR (0.42) | P2RX4HDAC3HSD17B3NAMPT | |
| SCHEMBL324125 | 0.83 | P2RX4 (0.53) | P2RX4HDAC3HSD17B3NAMPTMEN1 | |
| SCHEMBL6168375 | 0.81 | HSD17B3 (0.49) | P2RX4HDAC3HSD17B3NOTUMTAS1R3 | |
| SCHEMBL324821 | 0.81 | SMN1; SMN2 (0.55) | HDAC3HSD17B3MEN1KMT2ABCHE |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105884771-B | Trifluoromethyl pyrpole and isoquinilone derivatives and its synthetic method | 上海大学 | 2017-11-10 | — | — | CN | disclosed |
| EP-3004082-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014191929-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-12-04 | — | — | WO | disclosed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| CN-100564358-C | The method of a kind of preparation 4-(3, the 4-dichlorophenoxy) piperidines | ASTRAZENECA AB (SE) | 2009-12-02 | — | — | CN | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |
| CN-100352807-C | substituted piperidine compounds | ASTRAZENECA AB (SE) | 2007-12-05 | — | — | CN | disclosed |
| CN-1907968-A | Method for making 4-(3,4-dichlorophenoxy)piperidine | ASTRAZENECA AB (SE) | 2007-02-07 | — | — | CN | disclosed |
| CN-1633414-A | Compound (I) | ASTRAZENECA AB (SE) | 2005-06-29 | — | — | CN | disclosed |
| EP-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| CN-1500080-A | Fused heterocyclic compounds | ����ҩƷ��ҵ��ʽ���� | 2004-05-26 | — | — | CN | disclosed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |