Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11792168 | 0.97 | — | — | |
| SCHEMBL27944942 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL28535930 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| Water SCHEMBL28479235 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL8063586 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL28868462 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL28200630 | 0.91 | ALDH1A1 (0.50) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| Acetic Acid SCHEMBL29208862 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL3177567 | 0.79 | ALDH1A1 (0.69) | ALDH1A1TSHRHSD17B10TDP1FFAR3 | |
| SCHEMBL18095037 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRHSD17B10TDP1FFAR3 |
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-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | claimed |
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | disclosed |