Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | BMP4 | P12644 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9099590 | 1.00 | NPC1 (0.47) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL11231477 | 0.82 | RAB9A (0.67) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL14832809 | 0.82 | RAB9A (0.67) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL21626767 | 0.82 | CYP1A2 (0.53) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL9099848 | 0.81 | CLK4 (0.61) | NPC1MAPTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL9099431 | 0.81 | CLK4 (0.61) | NPC1MAPTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL16566653 | 0.78 | CYP1A2 (0.57) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL21729918 | 0.76 | MAPT (0.53) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL21626679 | 0.73 | GAA (0.47) | NPC1MAPTRAB9AGAAPKM | |
| SCHEMBL13875563 | 0.71 | MAPT (0.63) | NPC1MAPTRAB9AGAAPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5507974-A | FOR NONLINEAR OPTICAL APPLICATIONS; FREQUENCY DOUBLING OF LIGHT | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |