Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | UBE2M | P61081 | 1/20 | 0.31 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14020242 | 0.82 | KIF11 (0.47) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL14020082 | 0.82 | KIF11 (0.47) | KIF11CYP1A2CYP2D6 | |
| SCHEMBL13923877 | 0.71 | KDM4E (0.35) | HTR2CHTR2B | |
| SCHEMBL14019974 | 0.71 | KDM4E (0.35) | HTR2CHTR2B | |
| SCHEMBL14020854 | 0.70 | KIF11 (0.40) | KIF11 | |
| SCHEMBL12902579 | 0.67 | KIF11 (0.68) | KIF11 | |
| SCHEMBL14529507 | 0.67 | KIF11 (0.46) | KIF11 | |
| SCHEMBL14019856 | 0.67 | — | — | |
| SCHEMBL13924077 | 0.67 | KIF11 (0.41) | KIF11 | |
| SCHEMBL14020009 | 0.67 | KIF11 (0.41) | KIF11 |
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-2007054138-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2007-05-18 | — | — | WO | disclosed |