Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.40 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17899652 | 0.93 | ALDH1A1 (0.43) | ALDH1A1MAPK1GAALMNAPOLB | |
| SCHEMBL17899699 | 0.87 | KMT2A (0.39) | GAAPOLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL17899665 | 0.86 | KMT2A (0.44) | ALDH1A1GAALMNAKMT2AMEN1 | |
| SCHEMBL17899692 | 0.86 | PKM (0.46) | ALDH1A1GAALMNAPOLBSMN1; SMN2 | |
| SCHEMBL17897343 | 0.85 | USP9X (0.39) | ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL17899649 | 0.84 | KMT2A (0.41) | GAAPOLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL17899697 | 0.84 | LMNA (0.43) | ALDH1A1GAALMNAKMT2AMEN1 | |
| SCHEMBL17897332 | 0.84 | EPHX2 (0.41) | ALDH1A1MAPK1GAASMN1; SMN2KMT2A | |
| SCHEMBL17899639 | 0.84 | PKM (0.43) | ALDH1A1GAALMNASMN1; SMN2KMT2A | |
| SCHEMBL17899640 | 0.83 | GAA (0.42) | ALDH1A1MAPK1GAASMN1; SMN2KMT2A |
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 |