Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | IL6ST | P40189 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9208449 | 0.74 | POLB (0.68) | CYP19A1POLBPADI4HDAC10HDAC6 | |
| SCHEMBL4579998 | 0.72 | HTR1D (0.52) | CYP19A1 | |
| SCHEMBL8662293 | 0.72 | CYP19A1 (0.44) | CYP19A1POLBHSP90AA1 | |
| SCHEMBL9209850 | 0.72 | POLB (1.00) | CYP19A1POLBPADI4HDAC10HDAC6 | |
| SCHEMBL3449953 | 0.70 | POLB (0.63) | POLBPADI4IL6ST | |
| SCHEMBL6709376 | 0.70 | CYP19A1 (0.75) | CYP19A1GAA | |
| SCHEMBL8126918 | 0.69 | CDC25A (0.64) | POLBIL6ST | |
| SCHEMBL29834888 | 0.68 | HTR2A (0.65) | POLBHDAC6 | |
| SCHEMBL5635157 | 0.68 | HTR2A (0.65) | POLBHDAC6 | |
| SCHEMBL5738832 | 0.68 | POLB (0.59) | POLBPADI4HDAC10HDAC6MCL1 |
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-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |