Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
| ▸ | DRD2 | P14416 | 5/20 | 0.59 |
| ▸ | LTA4H | P09960 | 2/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14970707 | 0.85 | LTA4H (0.73) | DRD2LTA4HPTGS2CYP1A2CYP2D6 | |
| SCHEMBL17848348 | 0.85 | LTA4H (0.73) | DRD2LTA4HPTGS2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL14969001 | 0.84 | LTA4H (0.71) | DRD2LTA4HPTGS2CYP1A2CYP2D6 | |
| SCHEMBL17848474 | 0.82 | DRD2 (0.58) | HTR2CHTR2ADRD2LTA4HPTGS2 | |
| SCHEMBL17848431 | 0.82 | DRD2 (0.61) | HTR2CHTR2ADRD2LTA4HPTGS2 | |
| SCHEMBL2158197 | 0.81 | KDM4E (0.60) | HTR2CLTA4HCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848636 | 0.81 | HTR7 (0.61) | HTR2ADRD2LTA4HPTGS2CYP1A2 | |
| SCHEMBL17848618 | 0.81 | HTR1A (0.61) | HTR2CHTR2ADRD2LTA4HPTGS2 | |
| SCHEMBL17848384 | 0.79 | DRD2 (0.71) | DRD2LTA4HPTGS2CYP1A2CYP2D6 | |
| SCHEMBL28311407 | 0.78 | TSHR (0.72) | HTR2CHTR2ALTA4HCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1246820-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001049683-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | disclosed |