Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ITK | Q08881 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 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 | |
|---|---|---|---|---|
| SCHEMBL23197819 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL13170081 | 0.68 | L3MBTL1 (0.64) | P2RX1NPC1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL23197769 | 0.68 | TP53 (0.49) | RAB9AALDH1A1GAAMAPTHTT | |
| SCHEMBL18732586 | 0.66 | NPC1 (0.49) | P2RX1NPY5RNPC1RAB9AEPHX2 | |
| SCHEMBL14126108 | 0.66 | NPC1 (0.51) | P2RX1NPY5RNPC1RAB9AEPHX2 | |
| SCHEMBL23197815 | 0.66 | LMNA (0.41) | RAB9AEPHX2ALDH1A1GAAMAPT | |
| SCHEMBL10310240 | 0.66 | ALDH1A1 (0.52) | P2RX1NPC1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL23198944 | 0.65 | TP53 (0.46) | RAB9AALDH1A1GAAMAPTHTT | |
| SCHEMBL14126110 | 0.65 | HTR3E (0.55) | P2RX1NPC1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL30684939 | 0.65 | EGFR (0.65) | P2RX1NPC1RAB9AEPHX2ALDH1A1 |
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-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |