Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6934110 | 0.98 | CYP1A2 (0.50) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL8564481 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL1980314 | 0.84 | HSD17B10 (0.57) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL7847984 | 0.82 | NOS2 (0.55) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| Bromide SCHEMBL1982279 | 0.82 | HSD17B10 (0.56) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL8027446 | 0.78 | KDM4E (0.61) | CYP1A2HTTHSD17B10KDM4EALDH1A1 | |
| SCHEMBL4581653 | 0.77 | NOS2 (0.49) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL21310919 | 0.77 | KDM4E (0.57) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| SCHEMBL4581651 | 0.77 | NOS2 (0.49) | CYP1A2CYP2D6HTTNOS2NOD1 | |
| Hydrochloric Acid SCHEMBL8025752 | 0.76 | KDM4E (0.59) | CYP1A2HTTHSD17B10KDM4EALDH1A1 |
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 2 patents. 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 |
| WO-2001070705-A1 | 2-ACYLAMINOBENZIMIDAZOLE DERIVATIVES FOR TREATING GLAUCOMA | ALCON, INC. (CH) | 2001-09-27 | — | — | WO | disclosed |