Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.46 |
| ▸ | MAN2A1 | Q16706 | 2/20 | 0.41 |
| ▸ | MAN1B1 | Q9UKM7 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9729471 | 0.88 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2AOC3TSHRRAB9A | |
| SCHEMBL9728882 | 0.84 | HPGD (0.49) | ALDH1A1AOC3MAN2A1MAN1B1CHRM2 | |
| SCHEMBL9740565 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2CYP3A4ALOX15TSHR | |
| SCHEMBL4083083 | 0.82 | AOC3 (0.53) | ALDH1A1AOC3MAN2A1MAN1B1CHRM2 | |
| SCHEMBL9729205 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2AOC3MAN2A1MAN1B1 | |
| SCHEMBL9729157 | 0.79 | SMN1; SMN2 (0.45) | ALDH1A1SMN1; SMN2AOC3CHRM2ADRA1A | |
| SCHEMBL14288495 | 0.78 | RAB9A (0.61) | ALDH1A1SMN1; SMN2CYP3A4ALOX15TSHR | |
| SCHEMBL9729300 | 0.77 | AOC3 (0.41) | ALDH1A1SMN1; SMN2AOC3MAN2A1MAN1B1 | |
| SCHEMBL9729227 | 0.76 | AOC3 (0.55) | ALDH1A1AOC3MAN2A1MAN1B1CHRM2 | |
| SCHEMBL9729958 | 0.76 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2AOC3CHRM2ADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | claimed |
| US-5171753-A | Derivatives of 2-amino-1-phenylethanol having antiulcer activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-12-15 | — | — | US | disclosed |
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | disclosed |