Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094975 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL29377115 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL3225381 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL1987173 | 0.82 | GABRA1 (0.38) | ALDH1A1GABRA1GABRB2SRD5A1MTNR1A | |
| SCHEMBL69556 | 0.80 | GABRA1 (0.48) | ALDH1A1TDP1CA2GABRA1GABRB2 | |
| SCHEMBL28294912 | 0.80 | GABRA1 (0.46) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL9754486 | 0.80 | GABRA1 (0.43) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL10773357 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL17818498 | 0.79 | SRD5A1 (0.41) | ALDH1A1TSHRTDP1CA2GABRA1 | |
| SCHEMBL15557081 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TSHRTDP1GABRA1GABRB2 |
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-118359568-A | Lewis acid catalyzed propargyl alcohol synthesized [5,6,5] oxygen-containing tricyclic compound and preparation method thereof | 河北工业大学 | 2024-07-19 | — | — | CN | disclosed |