Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 8/20 | 0.43 |
| ▸ | CA9 | Q16790 | 7/20 | 0.43 |
| ▸ | CA1 | P00915 | 7/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28134928 | 0.91 | PTGS2 (0.44) | PTGS2CA2CA9CA1ACHE | |
| Hydrochloric Acid SCHEMBL5797690 | 0.84 | PTGS2 (0.45) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL16936936 | 0.80 | CA2 (0.51) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL31235134 | 0.80 | CA2 (0.51) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL30610973 | 0.79 | HDAC3 (0.51) | HDAC3HDAC1HDAC8ESR1ESR2 | |
| SCHEMBL28877972 | 0.76 | PTGS2 (0.47) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL28113571 | 0.76 | HDAC3 (0.49) | HDAC3HDAC1HDAC8ESR1ESR2 | |
| SCHEMBL29892589 | 0.75 | KEAP1 (0.44) | CA2CA9CA1CA12KDM4E | |
| SCHEMBL28767740 | 0.75 | CA2 (0.50) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL29496941 | 0.74 | SLC40A1 (0.42) | CA2CA9CA1CA12MEN1 |
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-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |