Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | FRK | P42685 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6298396 | 0.95 | KDM4E (0.51) | KDM4ENPSR1TSHRHSD17B10TRPV4 | |
| SCHEMBL6299608 | 0.93 | KDM4E (0.52) | KDM4ENPSR1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL1547213 | 0.89 | KDM4E (0.51) | KDM4ENPSR1TSHRHSD17B10TRPV4 | |
| SCHEMBL7801303 | 0.83 | KDM4E (0.63) | KDM4ENPSR1HSD17B10TRPV4ALDH1A1 | |
| SCHEMBL7797968 | 0.82 | KDM4E (0.65) | KDM4ENPSR1HSD17B10ALDH1A1HPGD | |
| SCHEMBL1547061 | 0.77 | TDP1 (0.46) | KDM4ENPSR1TSHRHSD17B10TRPV4 | |
| SCHEMBL7798006 | 0.77 | TSHR (0.49) | KDM4ENPSR1TSHRHSD17B10TRPV4 | |
| SCHEMBL1546532 | 0.77 | TSHR (0.49) | TSHRHSD17B10CYP3A4SMN1; SMN2 | |
| SCHEMBL1546383 | 0.77 | TSHR (0.49) | KDM4ETSHRHSD17B10TRPV4ALDH1A1 | |
| SCHEMBL18309198 | 0.75 | TSHR (0.66) | KDM4ETSHRHSD17B10ALDH1A1RCE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1025087-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | disclosed |