Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 5/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6796386 | 0.88 | PPOX (0.45) | PARP1PPOXCES1GSK3BCDK2 | |
| SCHEMBL25710442 | 0.79 | TYMS (0.38) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13129894 | 0.79 | PPOX (0.41) | PARP1PPOXCES1GSK3BCDK2 | |
| SCHEMBL11057362 | 0.78 | PPOX (0.48) | PARP1PPOXCES1GSK3BCDK2 | |
| SCHEMBL17225997 | 0.73 | PARP1 (0.40) | PARP1PPOXGSK3BCDK2CDK4 | |
| SCHEMBL13578768 | 0.72 | PPOX (0.47) | PARP1PPOXCES1GSK3BNPSR1 | |
| SCHEMBL17225996 | 0.70 | PARP1 (0.41) | PARP1PPOXGSK3BCDK2CDK4 | |
| SCHEMBL7278521 | 0.70 | GSK3B (0.47) | PARP1PPOXCES1GSK3BCDK2 | |
| SCHEMBL1413190 | 0.70 | PPOX (0.58) | PPOXCES1GSK3BNPSR1GRIN2D | |
| SCHEMBL13578767 | 0.70 | PPOX (0.48) | PARP1PPOXCES1GSK3BNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7910736-B2 | applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates | BASF AKTIENGESELLSCHAFT (DE) | 2011-03-22 | — | — | US | disclosed |