Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.37 |
| ▸ | MAN2B1 | O00754 | 3/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12731151 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL21577516 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL19557078 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL21396315 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL24173516 | 0.87 | ALDH1A1 (0.39) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL15299019 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL18118962 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL12154328 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL14015522 | 0.85 | ESR2 (0.36) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL21182764 | 0.84 | CYP2C9 (0.44) | ALDH1A1MAPTSMN1; SMN2ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3543314-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |