Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21890782 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL8086170 | 0.83 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL2495367 | 0.83 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL19418996 | 0.82 | HDAC2 (0.61) | KDM4EMAPTLMNAHTTSMN1; SMN2 | |
| SCHEMBL27510107 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL6035865 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL8127394 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL28254030 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL21625039 | 0.79 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL21625040 | 0.79 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 |
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-100363332-C | Aromatic amino acid derivative, preparation method and medical application thereof | INST OF TOXIC PHARMACOLOGY PLA (CN) | 2008-01-23 | — | — | CN | disclosed |
| CN-1453265-A | Aromatic amino acid derivative, preparation method and medical application thereof | INST OF TOXIC PHARMACOLOGY PLA (CN) | 2003-11-05 | — | — | CN | disclosed |