Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292405 | 0.83 | HSD11B1 (0.55) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL26641094 | 0.82 | POLB (0.55) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL14368336 | 0.80 | EPHX1 (0.68) | HSD11B1MGLLPOLBL3MBTL1L3MBTL3 | |
| SCHEMBL11566253 | 0.79 | MGLL (0.60) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL13634252 | 0.78 | CRBN (0.49) | ALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL10663590 | 0.78 | CA12 (0.67) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL10535520 | 0.78 | ACHE (0.61) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL11565367 | 0.77 | DRD4 (0.60) | HSD11B1MGLLEPHX1KMT2A | |
| SCHEMBL28632792 | 0.76 | HSD11B1 (0.51) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL1578279 | 0.75 | CA12 (0.59) | HSD11B1MGLLCA12CA1CA2 |
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-109734700-A | SMO inhibitor of the piperidine structure containing benzoyl and preparation method thereof and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |