Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547614 | 0.97 | ADRA2A (0.57) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Cloxacepride SCHEMBL2109155 | 0.82 | CYP2D6 (0.58) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11371560 | 0.82 | ALDH1A1 (0.48) | CYP2D6CYP1A2ALDH1A1MCHR1CYP2C9 | |
| SCHEMBL20348311 | 0.79 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL5925593 | 0.79 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL31437345 | 0.79 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL5925589 | 0.78 | RAB9A (0.71) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Iodomethane SCHEMBL11541319 | 0.78 | ADRA2A (0.56) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL18618398 | 0.78 | ADRA2A (0.71) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL11545026 | 0.78 | ADRA2A (0.57) | ADRA2ACYP2D6DRD3LMNACYP1A2 |
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-4146637-A | ANTIALLERGENS | LUDWIG MERCKLE K.G., CHEM. PHARM. FABRIK (DE) | 1979-03-27 | — | — | US | disclosed |