Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ECE1 | P42892 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2363846 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL13826479 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL16298847 | 0.77 | CYP2C9 (0.46) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL31483043 | 0.77 | CYP2C9 (0.46) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL24741522 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL14241689 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL14729745 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL21394036 | 0.77 | MEN1 (0.45) | CYP2C9CYP2C19MEN1LMNAPOLB | |
| SCHEMBL4850022 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 | |
| SCHEMBL8433156 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1TAS1R3 |
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-2528902-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011092187-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2011-08-04 | — | — | WO | disclosed |