Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17785867 | 0.97 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1TSHRDPP4HSD17B10 | |
| SCHEMBL3279467 | 0.97 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1TSHRDPP4HSD17B10 | |
| Hydrochloric Acid SCHEMBL28868989 | 0.95 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1TSHRDPP4HSD17B10 | |
| SCHEMBL21886424 | 0.83 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TSHRDPP4HSD17B10 | |
| SCHEMBL397466 | 0.81 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1TSHRHSD17B10HPGD | |
| SCHEMBL20345882 | 0.81 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1TSHRDPP4HSD17B10 | |
| SCHEMBL31607672 | 0.81 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1TSHRHSD17B10HPGD | |
| SCHEMBL29802156 | 0.81 | CYP2A6 (0.67) | ALDH1A1TSHRDPP4HSD17B10HPGD | |
| SCHEMBL671133 | 0.81 | CYP2A6 (0.67) | ALDH1A1TSHRDPP4HSD17B10HPGD | |
| SCHEMBL29883244 | 0.81 | CYP2A6 (0.67) | ALDH1A1TSHRDPP4HSD17B10HPGD |
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-110650959-A | Therapeutic compounds and compositions and methods of use thereof | 豪夫迈·罗氏有限公司 | 2020-01-03 | — | — | CN | disclosed |