Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | NOS3 | P29474 | 4/20 | 0.43 |
| ▸ | NOS1 | P29475 | 4/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150261 | 1.00 | ALDH1A1 (0.51) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL5150269 | 1.00 | ALDH1A1 (0.51) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL11632186 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL28549148 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL11632182 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL5150086 | 0.81 | NOS3 (0.47) | ALDH1A1NOS3NOS1NOS2SLC22A2 | |
| SCHEMBL5902546 | 0.80 | ALDH1A1 (0.56) | ALDH1A1PIN1TSHRCES2ACHE | |
| SCHEMBL5592690 | 0.80 | ALDH1A1 (0.53) | ALDH1A1PIN1TSHRCES2ACHE | |
| SCHEMBL10722192 | 0.79 | ALDH1A1 (0.54) | ALDH1A1NOS3NOS1NOS2HTR3E | |
| SCHEMBL11591958 | 0.79 | NOS3 (0.53) | ALDH1A1NOS3NOS1NOS2HTR3E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015067448-A1 | CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES | EVONIK INDUSTRIES AG (DE) | 2015-05-14 | — | — | WO | disclosed |
| EP-2868652-A1 | Catalytic hydrogenation for the preparation of amines from amide acetals, ketene-N, O-acetals or esterimides | Evonik Industries AG (DE) | 2015-05-06 | — | — | EP | disclosed |
| US-4152348-A | INHIBITION OF COLOR FORMATION ON STORAGE | THE UPJOHN COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| US-4152349-A | IMPROVED REACTIVITY, STORAGE STABILITY | THE UPJOHN COMPANY (US) | 1979-05-01 | — | — | US | disclosed |