Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | APEX1 | P27695 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL23793382 | 0.80 | CA14 (0.40) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL13211928 | 0.80 | ALOX15 (0.50) | THRBTDP1MAPTPKMALDH1A1 | |
| SCHEMBL17177294 | 0.78 | KDM4E (0.57) | KMT2AMAPTMEN1POLBCASP1 | |
| SCHEMBL24633659 | 0.78 | LRRK2 (0.33) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL2667962 | 0.78 | RECQL (0.49) | RECQLKMT2ATDP1ALDH1A1CYP3A4 | |
| SCHEMBL6418163 | 0.77 | KMT2A (0.52) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL31268209 | 0.77 | KMT2A (0.63) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL1682394 | 0.77 | KMT2A (0.63) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL6307425 | 0.77 | TDP1 (0.52) | THRBRECQLKMT2ATDP1MAPT | |
| SCHEMBL22453600 | 0.77 | MAPT (0.52) | THRBRECQLKMT2ATDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021178780-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | ESCAPE Bio, Inc. (US) | 2021-09-10 | — | — | WO | disclosed |
| WO-2021007477-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | E-SCAPE BIO, INC. (US) | 2021-01-14 | — | — | WO | disclosed |