Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28224693 | 0.93 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Piperazine SCHEMBL6093828 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2 | |
| Piperidine SCHEMBL4124279 | 0.91 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Piperazine SCHEMBL27792846 | 0.91 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Piperidine SCHEMBL27915255 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Piperazine SCHEMBL28654365 | 0.89 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Ethyl Acetate SCHEMBL27354887 | 0.82 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10TSHROPRM1 | |
| Cyclohexane SCHEMBL5908851 | 0.81 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2 | |
| Cyclohexane SCHEMBL416739 | 0.81 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2 | |
| Cyclohexane SCHEMBL17156367 | 0.81 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104710408-A | Chiral cis-imidazolines | HOFFMANN LA ROCHE | 2015-06-17 | — | — | CN | disclosed |