Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 6/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | FABP3 | P05413 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FABP2 | P12104 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| SCHEMBL2733172 | 0.85 | ACLY (0.37) | ACLYAGTR1HTR6RECQLFABP3 | |
| SCHEMBL2726604 | 0.85 | ACLY (0.41) | ACLYAGTR1HTR6RECQLFABP3 | |
| SCHEMBL2733167 | 0.83 | HTR6 (0.40) | ACLYHTR6PSEN1PSEN2APH1B | |
| SCHEMBL2724860 | 0.82 | ACLY (0.39) | ACLYAGTR1HTR6RECQLFABP3 | |
| SCHEMBL10064904 | 0.74 | PSEN1 (0.37) | SMN1; SMN2NOD1PSEN1PSEN2APH1B | |
| SCHEMBL28019783 | 0.71 | AGTR1 (0.47) | ACLYAGTR1HTR6FABP3FABP4 | |
| SCHEMBL6829775 | 0.69 | AKR1C3 (0.48) | ACLYAGTR1HTR6FABP3FABP4 | |
| SCHEMBL2732076 | 0.69 | FABP3 (0.50) | ACLYAGTR1HTR6FABP3FABP4 | |
| SCHEMBL4119321 | 0.69 | ACLY (0.51) | ACLYAGTR1HTR6FABP3FABP4 | |
| SCHEMBL2732065 | 0.68 | HTR6 (0.42) | ACLYHTR6PSEN1PSEN2APH1B |
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-2012059568-A1 | NOVEL WATER-SOLUBLE INDOLOBENZAZEPINE MOLECULES DEMONSTRATING ANTIMITOTIC, ANTIVASCULAR, AND ANTITUMOR ACTIVITIES IN VIVO | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-05-10 | — | — | WO | disclosed |