Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CRHBP | P24387 | 2/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2049579 | 0.85 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2C9KCNQ2ALDH1A1 | |
| SCHEMBL8113733 | 0.84 | CTSD (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7504901 | 0.84 | LMNA (0.49) | KCNQ2ALDH1A1CRHBPCRHR2LMNA | |
| SCHEMBL2721958 | 0.81 | LMNA (0.50) | KCNQ2ALDH1A1CRHBPCRHR2LMNA | |
| SCHEMBL10573413 | 0.81 | HTR2A (0.53) | CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL19228532 | 0.81 | CYP2C19 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL643461 | 0.81 | CYP2C19 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14423896 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9055208 | 0.80 | ROCK2 (0.50) | ALDH1A1CRHBPCRHR2LMNAHTT | |
| SCHEMBL19256857 | 0.80 | ROCK2 (0.50) | ALDH1A1CRHBPCRHR2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-9006433-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-04-14 | — | — | US | disclosed |