Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.47 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL26641094 | 0.84 | POLB (0.55) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL10293586 | 0.84 | MGLL (0.54) | MGLLALDH1A1POLBL3MBTL1TP53BP1 | |
| SCHEMBL10535520 | 0.83 | ACHE (0.61) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL28292403 | 0.83 | HSD11B1 (0.53) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL16002961 | 0.82 | RAB9A (0.67) | HSD11B1MGLLALDH1A1POLBTDP1 | |
| SCHEMBL16002964 | 0.82 | HSD11B1 (0.59) | HSD11B1ALDH1A1POLBL3MBTL1TP53BP1 | |
| SCHEMBL11566253 | 0.81 | MGLL (0.60) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL10663590 | 0.81 | CA12 (0.67) | HSD11B1MGLLCA12CA1CA2 | |
| SCHEMBL16002915 | 0.80 | ALDH1A1 (0.57) | ALDH1A1POLBKMT2A | |
| SCHEMBL16002986 | 0.80 | ALDH1A1 (0.47) | ALDH1A1POLBL3MBTL1TP53BP1L3MBTL3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734700-B | SMO inhibitor containing benzoyl piperidine structure and preparation method and application thereof | 中国药科大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-109734700-B | SMO inhibitor containing benzoyl piperidine structure and preparation method and application thereof | 中国药科大学 | 2021-09-28 | — | — | CN | disclosed |
| 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 |