Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2629504 | 0.85 | ALDH1A1 (0.62) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL2629503 | 0.79 | MEN1 (0.55) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL15236204 | 0.79 | ALDH1A1 (0.77) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL20328074 | 0.77 | CYP2D6 (0.57) | TSHRCYP2C19MEN1CYP2C9KMT2A | |
| SCHEMBL2978379 | 0.77 | MC4R (0.70) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL2629506 | 0.77 | CYP2D6 (0.55) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL2629507 | 0.75 | CYP2D6 (0.55) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL2086761 | 0.75 | TSHR (0.70) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL20315451 | 0.75 | CYP2D6 (0.61) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL20315449 | 0.74 | CYP2D6 (0.56) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024005516-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 보로노이 주식회사 | 2024-01-04 | — | — | WO | disclosed |
| WO-2024005516-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 보로노이 주식회사 | 2024-01-04 | — | — | WO | disclosed |