Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204673 | 1.00 | MAPT (0.47) | MAPTHPGDRAB9ANPC1HDAC1 | |
| SCHEMBL27766220 | 0.85 | KDM4E (0.48) | MAPTHPGDHDAC1ALDH1A1MEN1 | |
| SCHEMBL8186254 | 0.84 | POLB (0.48) | MAPTHPGDRAB9AHDAC1ALDH1A1 | |
| SCHEMBL8186252 | 0.84 | POLB (0.48) | MAPTHPGDRAB9AHDAC1ALDH1A1 | |
| SCHEMBL7968822 | 0.84 | ESR1 (0.44) | MAPTHPGDRAB9ANPC1HDAC1 | |
| SCHEMBL7974045 | 0.82 | TTR (0.51) | MAPTHPGDRAB9ANPC1HDAC1 | |
| SCHEMBL8179896 | 0.82 | MMP1 (0.53) | RAB9ANPC1HDAC1MEN1KMT2A | |
| SCHEMBL7974049 | 0.82 | TTR (0.51) | MAPTHPGDRAB9ANPC1HDAC1 | |
| SCHEMBL8179894 | 0.82 | MMP1 (0.53) | RAB9ANPC1HDAC1MEN1KMT2A | |
| SCHEMBL20162151 | 0.80 | KDM4E (0.48) | MAPTHPGDHDAC1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |