Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PPOX | P50336 | 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 | |
|---|---|---|---|---|
| SCHEMBL1196827 | 0.81 | CYP2A6 (0.34) | ALDH1A1MAPTIDO1 | |
| SCHEMBL29792715 | 0.81 | MEN1 (0.30) | MAPTIDO1 | |
| SCHEMBL23088225 | 0.81 | MEN1 (0.30) | MAPTIDO1 | |
| SCHEMBL31220830 | 0.81 | CYP2A6 (0.34) | ALDH1A1MAPTIDO1 | |
| Hydrochloric Acid SCHEMBL21355478 | 0.79 | CYP2A6 (0.33) | IDO1 | |
| SCHEMBL27033835 | 0.79 | KEAP1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL29958529 | 0.79 | KEAP1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL3633061 | 0.78 | XDH (0.51) | XDHALDH1A1MAPTIDO1PPOX | |
| SCHEMBL2236405 | 0.77 | FFAR1 (0.40) | — | |
| SCHEMBL23088189 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981854-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |