Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3257814 | 0.74 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL13076964 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL9913255 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29105899 | 0.68 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL21682 | 0.68 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3395676 | 0.67 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL30400834 | 0.67 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL7647499 | 0.67 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL20816013 | 0.65 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TSHRTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2290380 | 0.65 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TSHRTDP1 |
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-2021231365-A1 | CARBON NANOSTRUCTURE COMPOSITIONS AND METHODS FOR PURIFICATION THEREOF | NANO-C, INC. (US) | 2021-11-18 | — | — | WO | disclosed |