Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27513305 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP2A6KAT2BLMNAL3MBTL1 | |
| SCHEMBL27650572 | 0.79 | NFE2L2 (0.38) | ALDH1A1L3MBTL1 | |
| SCHEMBL26654200 | 0.79 | IDO1 (0.42) | L3MBTL1MAOB | |
| SCHEMBL13655498 | 0.79 | IDO1 (0.42) | L3MBTL1MAOB | |
| SCHEMBL28772860 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP2A6LMNACA2 | |
| SCHEMBL28270165 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP2A6LMNATSHRCA2 | |
| SCHEMBL27497727 | 0.71 | MAOB (0.43) | ALDH1A1CYP2A6KAT2BTSHRMAOB | |
| SCHEMBL28155730 | 0.70 | ALDH1A1 (0.48) | ALDH1A1CYP2A6LMNAL3MBTL1TSHR | |
| SCHEMBL6257792 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP2A6LMNAL3MBTL1TSHR | |
| SCHEMBL28397694 | 0.69 | MAOB (0.58) | KAT2BMAOBCA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108200760-A | BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS | 英安塔制药有限公司 | 2018-06-22 | — | — | CN | disclosed |
| WO-2016095089-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |