Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | DHODH | Q02127 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124285 | 0.88 | DHODH (0.68) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL11403188 | 0.82 | DHODH (0.60) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL15054596 | 0.82 | CYP3A4 (0.64) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL18987783 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL995708 | 0.80 | DHODH (0.56) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL995706 | 0.80 | DHODH (0.56) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL4154245 | 0.79 | DHODH (0.74) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL2654421 | 0.78 | EPHX2 (0.42) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL8628152 | 0.78 | DHODH (0.59) | CYP3A4CYP2D6DHODHGAANPSR1 | |
| SCHEMBL31373277 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP2D6DHODHGAANPSR1 |
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-2004043930-A1 | QUINOLINE DERIVATIVES WHICH ENHANCE COGNITION VIA THE GABA-A RECEPTOR | MERCK SHARP & DOHME LIMITED (GB) | 2004-05-27 | — | — | WO | disclosed |