Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5222314 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CCR1 | |
| SCHEMBL5220151 | 0.78 | DPP4 (0.73) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL14587269 | 0.78 | DPP4 (0.73) | DPP4DPP8DPP9DPP7 | |
| Hydrochloric Acid SCHEMBL5218732 | 0.77 | DPP4 (0.71) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL6617558 | 0.71 | DPP4 (0.70) | KDM1AMAOBCHRM4DPP4DPP8 | |
| SCHEMBL28036178 | 0.70 | RAB9A (0.55) | ALDH1A1SMN1; SMN2RAB9AMAPTGAA | |
| SCHEMBL6605625 | 0.70 | NPSR1 (0.51) | ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL31312064 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KDM1AMAPTMAOATDP1 | |
| SCHEMBL3237000 | 0.69 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM1AMAOBMAPT | |
| SCHEMBL2636274 | 0.69 | RAB9A (0.57) | ALDH1A1SMN1; SMN2RAB9AMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399433-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003002553-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-01-09 | — | — | WO | disclosed |