Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL752255 | 0.92 | POLB (0.41) | LMNAALDH1A1POLBESR1ESR2 | |
| SCHEMBL751619 | 0.82 | ESR1 (0.59) | LMNAALDH1A1POLBESR1ESR2 | |
| SCHEMBL747402 | 0.81 | CA1 (0.46) | LMNAALDH1A1POLBESR1ESR2 | |
| SCHEMBL752176 | 0.77 | ESR1 (0.43) | LMNAALDH1A1POLBESR1ESR2 | |
| SCHEMBL749975 | 0.74 | ESR1 (0.42) | LMNAESR1ESR2 | |
| SCHEMBL21463856 | 0.71 | LMNA (0.53) | LMNAALDH1A1POLBPKMMEN1 | |
| SCHEMBL2971923 | 0.67 | SLC6A4 (0.49) | — | |
| SCHEMBL752060 | 0.66 | ESR1 (0.40) | ESR1ESR2 | |
| SCHEMBL2970830 | 0.65 | USP30 (0.44) | ESR1ESR2 | |
| SCHEMBL23257728 | 0.61 | LMNA (0.60) | LMNAALDH1A1POLBPKMMEN1 |
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 |