Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 5/20 | 0.35 |
| ▸ | METAP1 | P53582 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CAD | P27708 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | PPID | Q08752 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18735064 | 0.93 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735053 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735054 | 0.89 | CYP2C9 (0.38) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735349 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735312 | 0.86 | METAP2 (0.36) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735061 | 0.84 | KMT2A (0.46) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735070 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735387 | 0.82 | METAP2 (0.36) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735322 | 0.81 | METAP2 (0.34) | CYP1A2CYP2C9CYP2C19HTTKMT2A | |
| SCHEMBL18735170 | 0.81 | CNR2 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017060400-A1 | PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS | NEUROVIVE PHARMACEUTICAL AB (SE) | 2017-04-13 | — | — | WO | disclosed |