Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17899695 | 0.93 | ALDH1A1 (0.43) | ALDH1A1MEN1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL17897343 | 0.92 | USP9X (0.39) | ALDH1A1MEN1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL17899665 | 0.86 | KMT2A (0.44) | ALDH1A1MEN1KMT2AGAALMNA | |
| SCHEMBL17899692 | 0.86 | PKM (0.46) | ALDH1A1MEN1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL17899699 | 0.86 | KMT2A (0.39) | MEN1PKMKMT2ASMN1; SMN2GAA | |
| SCHEMBL17899697 | 0.85 | LMNA (0.43) | ALDH1A1MEN1PKMKMT2AGAA | |
| SCHEMBL17899651 | 0.83 | SMYD3 (0.40) | ALDH1A1PKMSMN1; SMN2GAALMNA | |
| SCHEMBL17899694 | 0.83 | PKM (0.48) | ALDH1A1MEN1PKMKMT2ASMN1; SMN2 | |
| SCHEMBL17899650 | 0.83 | KMT2A (0.46) | ALDH1A1MEN1KMT2AGAALMNA | |
| SCHEMBL17899649 | 0.83 | KMT2A (0.41) | MEN1PKMKMT2ASMN1; SMN2GAA |
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 |