Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31738482 | 0.91 | CYP19A1 (0.61) | CYP19A1HTTNPSR1MEN1KMT2A | |
| SCHEMBL7069713 | 0.91 | CYP19A1 (0.61) | CYP19A1HTTNPSR1MEN1KMT2A | |
| SCHEMBL29481851 | 0.80 | CYP19A1 (0.53) | CYP19A1NPSR1CYP3A4LMNACYP1A2 | |
| SCHEMBL871138 | 0.80 | CYP19A1 (0.53) | CYP19A1NPSR1CYP3A4LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL6061889 | 0.78 | CYP19A1 (0.52) | CYP19A1NPSR1CYP3A4LMNACYP1A2 | |
| SCHEMBL9807642 | 0.77 | CYP19A1 (0.54) | CYP19A1MEN1KMT2ACYP3A4LMNA | |
| SCHEMBL28873268 | 0.75 | CYP19A1 (0.62) | CYP19A1MEN1KMT2ACYP3A4LMNA | |
| Succinic Acid SCHEMBL21385162 | 0.73 | KDR (0.53) | CYP19A1ALDH1A1MAPT | |
| SCHEMBL12785877 | 0.72 | GBA1 (0.46) | CYP19A1KMT2ACYP3A4LMNACYP1A2 | |
| SCHEMBL28173505 | 0.71 | SCN9A (0.54) | CYP19A1HTTNPSR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105985320-A | Benzylphthalazine compound and its preparation method and use | 复旦大学 | 2016-10-05 | — | — | CN | claimed |