Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.32 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.32 |
| ▸ | CPS1 | P31327 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27758360 | 0.85 | ALDH1A1 (0.40) | DAOALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL228056 | 0.81 | PTPN2 (0.51) | ALDH1A1 | |
| SCHEMBL28779358 | 0.78 | SLC18A3 (0.53) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27758338 | 0.77 | HSD11B1 (0.57) | HSD11B1ALDH1A1LMNASMN1; SMN2MGLL | |
| SCHEMBL3604589 | 0.74 | KMT2A (0.54) | HSD11B1ALDH1A1MGLL | |
| SCHEMBL27968804 | 0.73 | HSD11B1 (0.56) | HSD11B1ALDH1A1LMNAMGLL | |
| SCHEMBL28072557 | 0.72 | MGLL (0.44) | ALDH1A1CPS1MGLL | |
| SCHEMBL27991279 | 0.72 | MGLL (0.51) | HSD11B1MGLL | |
| SCHEMBL28021721 | 0.72 | MGLL (0.57) | HSD11B1LMNAMGLL | |
| Tert-Butyl Formate SCHEMBL28779357 | 0.71 | MEN1 (0.39) | DAOALDH1A1SMN1; SMN2 |
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-101384581-B | Benzoyl-piperidine derivatives as 5HT2/D3 modulators | HOFFMANN LA ROCHE | 2013-09-18 | — | — | CN | disclosed |
| CN-101384581-A | Benzoyl-piperidine derivatives as 5HT2/D3 modulators | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | CN | disclosed |