Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | HBB | P68871 | 1/20 | 0.53 |
| ▸ | INSR | P06213 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 4/20 | 0.46 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804611 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8811321 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8812511 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL10340969 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL10340938 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8811324 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8812840 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8812843 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8812516 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| Bromide SCHEMBL29819504 | 0.97 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MEN1 |
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-0348497-A1 | NON-LINEAR OPTICAL MATERIAL CONTAINING A HEMICYANINE COMPOUND AND PROCESS FOR PRODUCING IT | MERCK PATENT GmbH (DE) | 1990-01-03 | — | — | EP | disclosed |
| WO-1989005843-A1 | NON-LINEAR OPTICAL MATERIAL CONTAINING A HEMICYANINE COMPOUND AND PROCESS FOR PRODUCING IT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-06-29 | — | — | WO | disclosed |