Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2298164 | 0.83 | MAPT (0.58) | CNR1HDAC1TAAR1NPC1RAB9A | |
| SCHEMBL1013717 | 0.81 | CNR1 (0.68) | CNR1HSP90AA1TAAR1NPC1RAB9A | |
| SCHEMBL15785091 | 0.79 | NPC1 (0.51) | HSP90AA1TAAR1NPC1RAB9A | |
| SCHEMBL14431556 | 0.77 | TAAR1 (0.54) | CNR1TAAR1NPC1RAB9AGPR84 | |
| SCHEMBL2293951 | 0.77 | MGLL (0.55) | HDAC1HSP90AA1NPC1RAB9AMAPT | |
| SCHEMBL14431603 | 0.75 | TAAR1 (0.59) | CNR1TAAR1EGFRERBB2NPC1 | |
| SCHEMBL14432356 | 0.75 | TAAR1 (0.55) | CNR1TAAR1NPC1RAB9APKM | |
| SCHEMBL18286143 | 0.75 | TSHR (0.54) | CNR1NPC1RAB9APKMMAPT | |
| SCHEMBL1025737 | 0.72 | CA12 (0.50) | HDAC1HSP90AA1NPC1RAB9AMAPT | |
| SCHEMBL2290144 | 0.71 | MAPT (0.62) | HDAC1NPC1RAB9AMAPTL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2429295-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132437-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-11-18 | — | — | WO | disclosed |