Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL18081306 | 0.76 | HPD (0.32) | — | |
| SCHEMBL11203642 | 0.73 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| SCHEMBL19519637 | 0.69 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL15003547 | 0.69 | — | — | |
| SCHEMBL30349823 | 0.69 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL15711352 | 0.69 | — | — | |
| SCHEMBL19308518 | 0.69 | — | — | |
| SCHEMBL18434778 | 0.69 | — | — | |
| SCHEMBL20977414 | 0.69 | — | — | |
| SCHEMBL30349850 | 0.66 | ALDH1A1 (0.32) | ALDH1A1 |
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-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |