Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11219830 | 0.83 | MAPT (0.44) | MAPTAPPCYP3A4ASIC3 | |
| SCHEMBL487465 | 0.77 | MAPT (0.56) | MAPTAPPNPSR1NPC1MTOR | |
| SCHEMBL9906153 | 0.74 | MAPT (0.53) | MAPTAPPNPSR1NPC1MTOR | |
| SCHEMBL18561130 | 0.74 | MAPT (0.53) | MAPTAPPFFAR1KCNH2ASIC3 | |
| SCHEMBL12935540 | 0.74 | MAPT (0.53) | MAPTAPPNPSR1NPC1MTOR | |
| SCHEMBL29116864 | 0.73 | MAPT (0.53) | MAPTAPPNPSR1NPC1MTOR | |
| SCHEMBL9135241 | 0.72 | MAPT (0.51) | MAPTAPPNPSR1NPC1MTOR | |
| Dimethylamine SCHEMBL700542 | 0.72 | MAPT (0.51) | MAPTAPPNPSR1NPC1MTOR | |
| SCHEMBL8728188 | 0.72 | MAPT (0.47) | MAPTAPPNPC1MTORRAB9A | |
| Bicarbonate SCHEMBL28540490 | 0.72 | MAPT (0.51) | MAPTAPPNPSR1NPC1MTOR |
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-0111124-B1 | POLYENE COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-04-16 | — | — | EP | disclosed |
| US-4021574-A | Antidandruff compositions containing 9-(4-lower alkoxy-2,3,6-trilower-alkylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid lower alkyl amides | HOFFMANN-LA ROCHE INC. (US) | 1977-05-03 | — | — | US | disclosed |