Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8145894 | 1.00 | MAPT (0.38) | MAPTSMN1; SMN2HSD17B10ALOX15ALOX12 | |
| SCHEMBL6601581 | 0.85 | MAPT (0.47) | MAPTSMN1; SMN2HSD17B10ALOX15ALOX12 | |
| SCHEMBL8135404 | 0.83 | ESR1 (0.42) | MAPTSMN1; SMN2HDAC8TP53KDM4E | |
| SCHEMBL6602418 | 0.83 | ESR1 (0.47) | MAPTSMN1; SMN2HDAC8TP53POLB | |
| SCHEMBL6601797 | 0.81 | MAPT (0.55) | MAPTSMN1; SMN2HSD17B10ALOX15ALOX12 | |
| SCHEMBL6601028 | 0.81 | HDAC8 (0.45) | MAPTSMN1; SMN2HDAC8TP53CYP3A4 | |
| SCHEMBL6602306 | 0.80 | MAPT (0.45) | MAPTHDAC8LMNAKDM4ECYP3A4 | |
| SCHEMBL6602268 | 0.80 | MAPT (0.49) | MAPTSMN1; SMN2HSD17B10ALOX15ALOX12 | |
| SCHEMBL6602294 | 0.78 | ESR1 (0.48) | MAPTSMN1; SMN2HDAC8TP53KDM4E | |
| SCHEMBL6602962 | 0.76 | MAPT (0.55) | MAPTSMN1; SMN2HDAC8TP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | disclosed |