Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.43 |
| ▸ | WNT3A | P56704 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7203493 | 0.82 | RAB9A (0.48) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL28827015 | 0.78 | TSHR (0.49) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL6135938 | 0.72 | CYP2C19 (0.46) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL81393 | 0.71 | CYP2C9 (0.55) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL11245259 | 0.71 | CYP2C19 (0.53) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL1681118 | 0.71 | TSHR (0.51) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL28376224 | 0.70 | TSHR (0.50) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL5103417 | 0.70 | TSHR (0.50) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL237013 | 0.69 | CES2 (0.51) | CYP2C19TSHRCYP2D6CYP2C9CES2 | |
| SCHEMBL26056789 | 0.69 | CES2 (0.66) | CYP2C19TSHRCYP2D6CYP2C9CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658619-A | Compound, material for organic electroluminescent element, and electronic device | 出光兴产株式会社 | 2016-06-08 | — | — | CN | disclosed |
| CN-105431417-A | Compound, material for organic electroluminescent element, and electronic device | IDEMITSU KOSAN CO | 2016-03-23 | — | — | CN | disclosed |