Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11361918 | 0.83 | ATM (0.41) | ALDH1A1TSHR | |
| SCHEMBL11549050 | 0.83 | PTPN1 (0.37) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL11550798 | 0.83 | PTPN1 (0.37) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL16154515 | 0.80 | MGAM (0.40) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL9176582 | 0.79 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL3963398 | 0.79 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL3963396 | 0.79 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL9176579 | 0.79 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL3963404 | 0.79 | MGAM (0.43) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL11557290 | 0.78 | ALOX15 (0.46) | ALDH1A1ALOX15TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160865-A | Asymmetric synthesis | HOFFMANN-LA ROCHE INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4151360-A | Optically active amine salts | HOFFMANN-LA ROCHE INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4102909-A | Optically active esters and amides | HOFFMANN-LA ROCHE INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4094892-A | CLAISEN REARRANGEMENT | HOFFMANN-LA ROCHE INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4045475-A | Optically active alcohols and lower esters thereof | HOFFMANN-LA ROCHE INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4000169-A | ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-28 | — | — | US | disclosed |