Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | NOS1 | P29475 | 4/20 | 0.48 |
| ▸ | NOS3 | P29474 | 3/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7320187 | 0.81 | NPC1 (0.52) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL7320175 | 0.81 | NPC1 (0.52) | NPC1RAB9ACA12CA9MGLL | |
| Hydrochloric Acid SCHEMBL9555744 | 0.80 | NPC1 (0.50) | NPC1RAB9ACA12CA9MGLL | |
| Hydrochloric Acid SCHEMBL9555748 | 0.80 | NPC1 (0.50) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL27747191 | 0.77 | NOS1 (0.60) | SIGMAR1NOS1NOS3NOS2SLC22A2 | |
| Acetic Acid SCHEMBL28196943 | 0.76 | NPC1 (0.54) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL10453753 | 0.76 | NPC1 (0.50) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL6341789 | 0.73 | CA12 (0.63) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL1796011 | 0.73 | NPC1 (0.60) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL967112 | 0.73 | NPC1 (0.66) | NPC1RAB9ACA12CA9MGLL |
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-0805796-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1997-11-12 | — | — | EP | claimed |
| WO-1996022966-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1996-08-01 | — | — | WO | claimed |