Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB3 | P54753 | 7/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CAMKK1 | Q8N5S9 | 2/20 | 0.38 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3606337 | 0.85 | NPC1 (0.45) | EPHB3ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13954506 | 0.81 | MAPT (0.41) | EPHB3ALDH1A1PTGS2L3MBTL1CAMKK1 | |
| SCHEMBL12477928 | 0.81 | EPHB3 (0.43) | EPHB3L3MBTL1CAMKK1CAMKK2TGFBR1 | |
| SCHEMBL3073610 | 0.81 | EPHB3 (0.56) | EPHB3ALDH1A1L3MBTL1TGFBR1KDM4E | |
| SCHEMBL31547078 | 0.81 | IRAK4 (0.41) | EPHB3ALDH1A1L3MBTL1CAMKK1CAMKK2 | |
| SCHEMBL24369482 | 0.81 | EPHB3 (0.59) | EPHB3CA1CA2ALDH1A1TSHR | |
| SCHEMBL3089211 | 0.81 | EIF4A3 (0.45) | EPHB3L3MBTL1CAMKK1CAMKK2NPC1 | |
| SCHEMBL3612196 | 0.81 | CA12 (0.46) | EPHB3CA12CA1CA2CA7 | |
| SCHEMBL29014099 | 0.79 | NPC1 (0.49) | EPHB3ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL23872949 | 0.78 | TDP1 (0.40) | EPHB3L3MBTL1CAMKK1CAMKK2TGFBR1 |
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-108699038-B | Spirocyclic heptane salicylamides and related compounds as Rock inhibitors | 百时美施贵宝公司 | 2021-04-16 | — | — | CN | disclosed |