Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328418 | 0.77 | ALDH1A1 (0.45) | KMT2AMEN1RAB9AALDH1A1TSHR | |
| SCHEMBL666850 | 0.74 | ALDH1A1 (0.48) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL9709386 | 0.74 | TRPA1 (0.39) | KMT2APSMB5PSMB8SMN1; SMN2MEN1 | |
| SCHEMBL8378633 | 0.74 | TSHR (0.40) | KMT2APSMB5PSMB8SMN1; SMN2MEN1 | |
| SCHEMBL8378631 | 0.74 | TSHR (0.40) | KMT2APSMB5PSMB8SMN1; SMN2MEN1 | |
| SCHEMBL11514392 | 0.73 | CYP19A1 (0.47) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28310523 | 0.73 | ALDH1A1 (0.47) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL27785600 | 0.73 | CYP19A1 (0.47) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL5021050 | 0.72 | MMP1 (0.40) | KMT2AMEN1ALDH1A1TSHRMMP1 | |
| SCHEMBL5021055 | 0.72 | MMP1 (0.40) | KMT2AMEN1ALDH1A1TSHRMMP1 |
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-4990669-A | Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |