Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL6780968 | 0.83 | EPHX1 (0.80) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL8393719 | 0.83 | EPHX1 (0.84) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL1424064 | 0.83 | EPHX1 (0.84) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| Dimethylamine SCHEMBL8326428 | 0.82 | EPHX1 (0.78) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| Bicarbonate SCHEMBL6203780 | 0.82 | EPHX1 (0.82) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL7198149 | 0.82 | EPHX1 (0.81) | EPHX1RAB9AALDH1A1GAAMEN1 | |
| SCHEMBL16401566 | 0.81 | EPHX1 (0.44) | EPHX1NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL16401565 | 0.81 | HPGD (0.51) | EPHX1SMN1; SMN2 | |
| SCHEMBL6667162 | 0.80 | KDM4E (0.52) | NPC1ALDH1A1GAA | |
| SCHEMBL14612363 | 0.80 | EPHX1 (0.78) | EPHX1RAB9AALDH1A1GAAMEN1 |
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-2020036979-A1 | PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2020-02-20 | — | — | WO | disclosed |