Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RUNX1 | Q01196 | 6/20 | 0.51 |
| ▸ | CBFB | Q13951 | 3/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31592786 | 1.00 | RUNX1 (0.51) | RUNX1CBFBTRPV1CYP1A2CYP3A4 | |
| SCHEMBL27040749 | 0.85 | NPBWR1 (0.61) | CBFBCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31592960 | 0.85 | NPBWR1 (0.61) | CBFBCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31592813 | 0.84 | ALDH1A1 (0.39) | CYP3A4NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL27040119 | 0.83 | MMP2 (0.55) | NPC1RAB9AALDH1A1TP53HPGD | |
| SCHEMBL31592951 | 0.83 | MMP2 (0.55) | NPC1RAB9AALDH1A1TP53HPGD | |
| SCHEMBL31592780 | 0.82 | ALDH1A1 (0.58) | CBFBCYP3A4BACE1NPC1RAB9A | |
| SCHEMBL31592976 | 0.82 | METAP2 (0.48) | TRPV1NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL31592819 | 0.81 | RUNX1 (0.52) | RUNX1CBFBTRPV1CYP1A2CYP3A4 | |
| SCHEMBL31592876 | 0.79 | MEN1 (0.41) | CYP3A4NPC1RAB9AALDH1A1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4559908-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | S2CBio Inc. (KR) | 2025-05-28 | — | — | EP | disclosed |
| WO-2024058617-A1 | ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND | 일동제약(주) | 2024-03-21 | — | — | WO | disclosed |
| WO-2024019541-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 일동제약(주) | 2024-01-25 | — | — | WO | disclosed |