Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2964374 | 0.84 | CHEK1 (0.39) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| SCHEMBL1660887 | 0.83 | PAX8 (0.41) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| SCHEMBL30502409 | 0.83 | CYP2D6 (0.43) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| SCHEMBL726452 | 0.83 | CA2 (0.47) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL2679932 | 0.83 | CYP2D6 (0.43) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| SCHEMBL29773602 | 0.83 | CA2 (0.47) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL29827543 | 0.83 | PAX8 (0.41) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| Hydrochloric Acid SCHEMBL28101819 | 0.81 | EP300 (0.43) | SIGMAR1CHEK1NEK2LIMK1DYRK1A | |
| SCHEMBL7298973 | 0.79 | G6PD (0.37) | CHEK1NEK2LIMK1DYRK1ACLK4 | |
| SCHEMBL7595952 | 0.79 | CHEK1 (0.39) | CHEK1NEK2LIMK1DYRK1ACLK4 |
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-1846380-A1 | CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006078995-A1 | CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-07-27 | — | — | WO | disclosed |