Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6541296 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TP53TSHR | |
| SCHEMBL16651374 | 0.67 | LMNA (0.34) | ALDH1A1TP53TSHR | |
| SCHEMBL1367719 | 0.66 | TSHR (0.58) | ALDH1A1TSHR | |
| SCHEMBL9627048 | 0.66 | CYP1A2 (0.47) | ALDH1A1TP53TSHR | |
| SCHEMBL30151995 | 0.65 | ALDH1A1 (0.48) | ALDH1A1TP53TSHR | |
| SCHEMBL28073617 | 0.65 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL8467609 | 0.64 | TSHR (0.56) | ALDH1A1TP53TSHR | |
| SCHEMBL7743848 | 0.64 | TSHR (0.75) | ALDH1A1TP53TSHR | |
| SCHEMBL8464950 | 0.64 | TSHR (0.75) | ALDH1A1TP53TSHR | |
| SCHEMBL7749088 | 0.64 | TSHR (0.75) | ALDH1A1TP53TSHR |
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-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |