Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.51 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.51 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8054450 | 0.90 | HTR2A (0.51) | SLC18A3KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14198387 | 0.85 | DRD2 (0.60) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL7754129 | 0.83 | CARM1 (0.55) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11606428 | 0.83 | BACE1 (0.53) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9435382 | 0.83 | OPRD1 (0.50) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL14282941 | 0.83 | PRCP (0.54) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11607566 | 0.82 | BACE1 (0.52) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11607143 | 0.82 | BACE1 (0.52) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9074777 | 0.81 | HTR2A (0.56) | KDM4ECYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL14198386 | 0.81 | BACE1 (0.50) | KDM4ECYP1A2CYP3A4CYP2D6TSHR |
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-4603135-A | HYPOTENSIVE AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-07-29 | — | — | US | disclosed |
| EP-0138505-A2 | Dihydropyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-24 | — | — | EP | disclosed |