Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.42 |
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24040006 | 0.82 | NR1H2 (0.62) | ESR2ESR1NR1H2ABHD6KDM4E | |
| SCHEMBL28535324 | 0.81 | ESR1 (0.38) | ESR2ESR1NR1H2CA1CA2 | |
| SCHEMBL28533143 | 0.81 | ESR1 (0.38) | ESR2ESR1NR1H2CA1CA2 | |
| SCHEMBL20214725 | 0.79 | MAPT (0.47) | ESR2ESR1CA9ALDH1A1HTT | |
| SCHEMBL27042945 | 0.78 | KCNH2 (0.45) | ESR2ESR1KMT2A | |
| SCHEMBL28682598 | 0.78 | CA1 (0.41) | ESR2ESR1NR1H2ABHD6CA1 | |
| SCHEMBL28700711 | 0.78 | CA1 (0.38) | ESR2ESR1NR1H2CA1CA2 | |
| SCHEMBL719491 | 0.76 | DRD2 (0.38) | ESR2ESR1NR1H2CA1CA2 | |
| SCHEMBL24073367 | 0.76 | MAOA (0.47) | NR1H2 | |
| SCHEMBL11296161 | 0.74 | MAPK1 (0.54) | CA1CA2CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3548479-A1 | ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS | ARIAD Pharmaceuticals, Inc. (US) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018102366-A1 | ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2018-06-07 | — | — | WO | disclosed |