Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17899648 | 0.86 | KMT2A (0.48) | ALDH1A1KMT2ALMNA | |
| SCHEMBL17899697 | 0.82 | LMNA (0.43) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL17899690 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL17899686 | 0.81 | EPHX2 (0.44) | ALDH1A1KMT2AHTT | |
| SCHEMBL17899644 | 0.81 | MAPT (0.48) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL17899650 | 0.81 | KMT2A (0.46) | ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL17899694 | 0.81 | PKM (0.48) | ALDH1A1KMT2APKMHTT | |
| SCHEMBL17899649 | 0.80 | KMT2A (0.41) | KMT2APKMMAPT | |
| SCHEMBL17897332 | 0.80 | EPHX2 (0.41) | ALDH1A1CA1CA2CA9KMT2A | |
| SCHEMBL17899639 | 0.80 | PKM (0.43) | ALDH1A1KMT2ALMNAPKMMAPT |
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 |