Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | TTR | P02766 | 7/20 | 0.62 |
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ACSL1 | P33121 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944576 | 0.97 | NPC1 (0.60) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10944937 | 0.93 | NPC1 (0.52) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL11209431 | 0.90 | NPC1 (0.49) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10943729 | 0.85 | NPC1 (0.69) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10945176 | 0.82 | NPC1 (0.65) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10943099 | 0.79 | NPC1 (0.64) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10941238 | 0.79 | NPC1 (0.64) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL10882826 | 0.79 | NPC1 (1.00) | NPC1RAB9ATTRMAOACASP3 | |
| SCHEMBL1787556 | 0.77 | TTR (1.00) | NPC1RAB9ATTRMAOAKDM4E | |
| SCHEMBL27753628 | 0.77 | TTR (0.77) | NPC1RAB9ATTRMAOAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4496447-A | PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1985-01-29 | — | — | US | disclosed |
| US-4374984-A | Aromatic-aliphatic ketones useful as photoinitiators | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-02-22 | — | — | US | disclosed |