Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.90 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.90 |
| ▸ | HTT | P42858 | 1/20 | 0.90 |
| ▸ | POLB | P06746 | 3/20 | 0.68 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TNF | P01375 | 2/20 | 0.54 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.54 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.54 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.54 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL6934118 | 0.98 | CYP1A2 (0.87) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL1992429 | 0.95 | CYP1A2 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| Diethylamine SCHEMBL8563676 | 0.90 | CYP1A2 (0.84) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL1520381 | 0.81 | POLB (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL5461912 | 0.80 | POLB (0.69) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL6199065 | 0.80 | CXCR4 (0.85) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL6694492 | 0.78 | HTT (0.70) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL2343059 | 0.78 | TLR8 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL1170110 | 0.77 | TLR8 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 | |
| SCHEMBL6196399 | 0.77 | CXCR4 (1.00) | CYP1A2CYP2D6HTTPOLBTLR8 |
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-6660870-B1 | Serotonergic compounds which possess agonist activity at 5-HT2 receptors effectively lower and control normal and elevated IOP and are useful for treating glaucoma | ALCON, INC. (CH) | 2003-12-09 | — | — | US | disclosed |