Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKLR | P30613 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | USP9X | Q93008 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17899642 | 0.90 | MAPT (0.39) | MAPTEPHX2PKMLMNAALDH1A1 | |
| SCHEMBL19472043 | 0.89 | EPHX2 (0.36) | MAPTEPHX2PKMLMNAALDH1A1 | |
| SCHEMBL17899697 | 0.85 | LMNA (0.43) | MAPTEPHX2PKMLMNAALDH1A1 | |
| SCHEMBL17899649 | 0.85 | KMT2A (0.41) | MAPTEPHX2PKMPOLBMEN1 | |
| SCHEMBL17897332 | 0.85 | EPHX2 (0.41) | EPHX2ALDH1A1KMT2A | |
| SCHEMBL17899639 | 0.84 | PKM (0.43) | MAPTEPHX2PKMLMNAALDH1A1 | |
| SCHEMBL17899690 | 0.84 | ALDH1A1 (0.46) | MAPTEPHX2PKMLMNAALDH1A1 | |
| SCHEMBL17899640 | 0.84 | GAA (0.42) | EPHX2ALDH1A1MEN1KMT2A | |
| SCHEMBL17899686 | 0.83 | EPHX2 (0.44) | EPHX2ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL17899688 | 0.83 | ALDH1A1 (0.46) | PKMALDH1A1POLBPKLRHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016107544-A1 | INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 成都先导药物开发有限公司 | 2016-07-07 | — | — | WO | disclosed |