Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10077232 | 0.75 | MEN1 (0.40) | GLSKCNH2GRIN2BP2RX7DAO | |
| SCHEMBL9965045 | 0.75 | BCHE (0.49) | BCHEGLSHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL147208 | 0.73 | — | — | |
| SCHEMBL21894060 | 0.73 | BCHE (0.47) | BCHEGLSGRIN2BHTTSMN1; SMN2 | |
| SCHEMBL292212 | 0.73 | BCHE (0.47) | BCHEGLSGRIN2BHTTSMN1; SMN2 | |
| SCHEMBL964527 | 0.73 | BCHE (0.51) | BCHEGLSGRIN2BHTTSMN1; SMN2 | |
| SCHEMBL19634920 | 0.73 | P2RX7 (0.40) | BCHEGLSKCNH2GRIN2BP2RX7 | |
| SCHEMBL8234799 | 0.73 | TDP1 (0.41) | GLSKCNH2GRIN2BP2RX7DAO | |
| SCHEMBL14537632 | 0.73 | KCNH2 (0.39) | GLSKCNH2GRIN2BP2RX7DAO | |
| SCHEMBL27677078 | 0.73 | KCNH2 (0.39) | GLSKCNH2GRIN2BP2RX7DAO |
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 4 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 |
| EP-1966141-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070818-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |