Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL8776664 | 1.00 | RAB9A (0.45) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL8776704 | 1.00 | RAB9A (0.45) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL7082815 | 0.86 | RAB9A (0.47) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL10480695 | 0.86 | RAB9A (0.47) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL8776709 | 0.85 | ALOX15 (0.49) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL8776680 | 0.85 | ALOX15 (0.49) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL9185477 | 0.84 | LDHA (0.47) | RAB9ANPSR1L3MBTL1CA1CA2 | |
| SCHEMBL31556283 | 0.82 | KMT2A (0.58) | NPSR1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL16119286 | 0.79 | AOC3 (0.47) | RAB9ANPSR1MEN1KMT2AAOC3 | |
| SCHEMBL16228151 | 0.79 | AOC3 (0.47) | RAB9ANPSR1MEN1KMT2AAOC3 |
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-119876067-A | Carbonyl reductase mutant and application thereof in preparation of diltiazem key intermediate | 华东理工大学 | 2025-04-25 | — | — | CN | claimed |
| CN-119876067-A | Carbonyl reductase mutant and application thereof in preparation of diltiazem key intermediate | 华东理工大学 | 2025-04-25 | — | — | CN | disclosed |
| CN-113174377-B | Carbonyl reductase, mutant and application of carbonyl reductase in preparation of diltiazem intermediate | 华东理工大学 | 2022-11-25 | — | — | CN | disclosed |