Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 4/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | FUCA1 | P04066 | 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 | |
|---|---|---|---|---|
| SCHEMBL28933991 | 0.88 | TSHR (0.36) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL27769894 | 0.79 | TSHR (0.38) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL28000668 | 0.77 | CA1 (0.38) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL1501243 | 0.76 | CA1 (0.36) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL1920420 | 0.74 | THRB (0.36) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL3135939 | 0.74 | TSHR (0.33) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL524807 | 0.74 | THRB (0.36) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL8111688 | 0.74 | MMP2 (0.32) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL1920419 | 0.74 | THRB (0.36) | TSHRLMNACYP3A4GABRA1GABRG2 | |
| SCHEMBL3129743 | 0.74 | GRM5 (0.33) | TSHRLMNACYP3A4GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156628-B | Cyclotriol derivative and preparation method and application thereof | 暨南大学 | 2022-05-17 | — | — | CN | disclosed |