Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | ACHE | P22303 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16656736 | 0.95 | MAOA (0.51) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL24117568 | 0.91 | MAOA (0.49) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL1893844 | 0.89 | MAOA (0.45) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL21889254 | 0.87 | MAOA (0.42) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL10153904 | 0.86 | MAOA (0.47) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL12166005 | 0.86 | MAOA (0.41) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL17265106 | 0.85 | MAOA (0.43) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL10153562 | 0.85 | MAOA (0.49) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL12166026 | 0.84 | MAOA (0.44) | MAOAMAOBACHECYP2D6DDB1 | |
| SCHEMBL17265103 | 0.84 | MAOA (0.48) | MAOAMAOBACHECYP2D6DDB1 |
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-9012599-B2 | Nitrogen-containing condensed heterocyclic compounds for OLEDs | MERCK PATENT GMBH (DE) | 2015-04-21 | — | — | US | disclosed |