Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.36 |
| ▸ | DBH | P09172 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709364 | 0.95 | ALOX15 (0.37) | ALOX15HDAC1HDAC6HSD17B3DBH | |
| SCHEMBL10907421 | 0.84 | ALOX15 (0.45) | ALOX15HDAC1HDAC6HSD17B3DBH | |
| SCHEMBL8712907 | 0.79 | TRPA1 (0.42) | ALOX15ESR1 | |
| SCHEMBL15335397 | 0.79 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL14762230 | 0.77 | ALOX15 (0.40) | ALOX15HDAC1HDAC6HSD17B3DBH | |
| SCHEMBL8709359 | 0.77 | MAPT (0.38) | — | |
| SCHEMBL8715513 | 0.76 | CDK1 (0.51) | — | |
| SCHEMBL500206 | 0.76 | FFAR4 (0.32) | PTPN1 | |
| SCHEMBL2960316 | 0.76 | ALDH1A1 (0.40) | PTPN1 | |
| SCHEMBL10908075 | 0.75 | CYP3A4 (0.51) | HDAC1HDAC6HDAC3HDAC2ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |