Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 3/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL177749 | 0.83 | KMT2A (0.60) | NR1H3NR1H2EGFRERBB2HTT | |
| SCHEMBL257814 | 0.83 | KDM4E (0.56) | NR1H3NR1H2EGFRERBB2HTT | |
| SCHEMBL30369800 | 0.80 | NR1H3 (0.62) | NR1H3NR1H2EGFRERBB2HTT | |
| SCHEMBL28867967 | 0.80 | KMT2A (0.64) | NR1H3NR1H2EGFRERBB2HTT | |
| SCHEMBL8806665 | 0.77 | CYP2A6 (0.47) | MLNRNR1H3NR1H2EGFRERBB2 | |
| SCHEMBL134473 | 0.75 | ALDH1A1 (0.55) | KDM4ESMN1; SMN2HSP90AA1PDK2 | |
| SCHEMBL12266129 | 0.75 | SMN1; SMN2 (0.50) | HTTMAPTKMT2ANPC1TP53 | |
| SCHEMBL31514900 | 0.75 | LTA4H (0.55) | HTTMAPTKDM4ENPC1TP53 | |
| SCHEMBL13806989 | 0.74 | ORAI1 (0.54) | KDM4E | |
| SCHEMBL16121146 | 0.74 | NR1H3 (0.76) | NR1H3NR1H2HTTGAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |