Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29492110 | 0.97 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRLMNAPOLB | |
| SCHEMBL69460 | 0.97 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRLMNAPOLB | |
| Hydrochloric Acid SCHEMBL18955871 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| SCHEMBL11348739 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| Bromide SCHEMBL1854329 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| SCHEMBL27510755 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| SCHEMBL28955073 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| Hydrochloric Acid SCHEMBL29242576 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| Potassium SCHEMBL29898272 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB | |
| Trimethylammonium SCHEMBL23035406 | 0.88 | TDP1 (0.54) | ALDH1A1TDP1TSHRLMNAPOLB |
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-110267963-B | MAGL inhibitors | H.隆德贝克有限公司 | 2022-04-01 | — | — | CN | disclosed |