Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | AQP1 | P29972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27641007 | 0.94 | CTSL (0.39) | MAOBAQP1MEN1MAPTKMT2A | |
| SCHEMBL5395923 | 0.90 | AQP1 (0.36) | MAOBAQP1DRD2DRD4DRD3 | |
| SCHEMBL6177617 | 0.82 | SMN1; SMN2 (0.44) | ALDH1A1MEN1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL20959847 | 0.77 | CTSK (0.52) | ALDH1A1LMNA | |
| SCHEMBL27828268 | 0.73 | HPGD (0.38) | AQP1MAPTHPGDPOLBAPEX1 | |
| SCHEMBL9313155 | 0.71 | CTSS (0.39) | AQP1ALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL9314436 | 0.68 | CYP4F2 (0.41) | MAOBALDH1A1POLB | |
| SCHEMBL25564130 | 0.68 | DRD2 (0.50) | ALDH1A1DRD2DRD4DRD3MAPT | |
| SCHEMBL5360275 | 0.67 | ALDH1A1 (0.64) | MAOBALDH1A1MAOAKDM4EMEN1 | |
| SCHEMBL16083425 | 0.67 | OPRM1 (0.47) | MAOBALDH1A1 |
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-1990468-A | Pyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1990469-A | Pyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1723196-A | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2006-01-18 | — | — | CN | disclosed |