Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19659016 | 0.78 | CYP3A4 (0.40) | CTRCCYP2D6CYP2C9 | |
| SCHEMBL5146311 | 0.74 | TDP1 (0.39) | TDP1L3MBTL1NPC1ALDH1A1NFKB1 | |
| SCHEMBL9587868 | 0.73 | TDP1 (0.46) | TDP1L3MBTL1ALDH1A1HRH3PPARA | |
| SCHEMBL826568 | 0.72 | TDP1 (0.42) | TDP1L3MBTL1NPC1ALDH1A1NFKB1 | |
| SCHEMBL23008863 | 0.71 | TYR (0.37) | TDP1NPC1ALDH1A1NFKB1RAB9A | |
| Hydrochloric Acid SCHEMBL10768072 | 0.70 | TDP1 (0.41) | TDP1L3MBTL1LATS1LATS2TRPV1 | |
| SCHEMBL827903 | 0.70 | TDP1 (0.43) | TDP1L3MBTL1HRH3PPARACYP2E1 | |
| SCHEMBL20643181 | 0.70 | CYP2D6 (0.46) | TDP1L3MBTL1NPC1ALDH1A1RAB9A | |
| SCHEMBL5495135 | 0.70 | — | — | |
| SCHEMBL827231 | 0.69 | TDP1 (0.40) | TDP1L3MBTL1NPC1ALDH1A1RAB9A |
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-2021029632-A1 | FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS | BISICHEM CO., LTD. (KR) | 2021-02-18 | — | — | WO | disclosed |