Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 4/20 | 0.34 |
| ▸ | CCND1 | P24385 | 4/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | AGER | Q15109 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4028017 | 0.80 | HTR6 (0.49) | CDK4CCND1KMT2AAPPHTR6 | |
| SCHEMBL16720003 | 0.78 | CDK4 (0.44) | CDK4CCND1KMT2AHSD17B10 | |
| SCHEMBL6231638 | 0.75 | HTR2C (0.33) | CDK4CCND1 | |
| SCHEMBL16719749 | 0.72 | CYP3A4 (0.45) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5068779 | 0.71 | PLA2G4A (0.44) | KMT2A | |
| SCHEMBL6228700 | 0.70 | CDK4 (0.35) | CDK4CCND1KMT2A | |
| SCHEMBL189124 | 0.70 | CDK4 (0.35) | CDK4CCND1KMT2A | |
| Phosphoric Acid SCHEMBL27354178 | 0.69 | KDM4E (0.37) | TSHRKMT2AAPPHSD17B10ALDH1A1 | |
| SCHEMBL3200268 | 0.68 | HTR6 (0.49) | CDK4CCND1KMT2AAPPHTR6 | |
| SCHEMBL1660960 | 0.68 | KMT2A (0.60) | KMT2AALDH1A1 |
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-1595866-B1 | Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome | SANWA KAGAKU KENKYUSHO CO (JP) | 2016-06-08 | — | — | EP | disclosed |
| EP-1595866-A1 | COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV | Sanwa Kagaku Kenkyusho Co., Ltd. (JP) | 2005-11-16 | — | — | EP | disclosed |