Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5004327 | 0.89 | NPC1 (0.33) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL10165263 | 0.82 | NPC1 (0.36) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL15206834 | 0.81 | NPC1 (0.34) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL7246310 | 0.81 | — | — | |
| SCHEMBL12320522 | 0.79 | NPC1 (0.33) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL26939583 | 0.77 | NPC1 (0.36) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL15216636 | 0.76 | NPC1 (0.33) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL26939178 | 0.76 | L3MBTL1 (0.38) | NPC1RAB9ANPSR1L3MBTL1MAPT | |
| SCHEMBL7245991 | 0.75 | — | — | |
| SCHEMBL26939363 | 0.75 | NPC1 (0.34) | NPC1RAB9ANPSR1L3MBTL1MAPT |
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-6677419-B1 | REACTING STOICHIOMETRIC EXCESS OF UNSATURATED ALICYCLIC MONOMER WITH ANOTHER UNSATURATED MONOMER, HAVING LESS THAN TWO ELECTRON-WITHDRAWING GROUPS APPENDED TO UNSATURATION, IN PRESENCE OF FREE RADICAL INITIATOR | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2004-01-13 | — | — | US | disclosed |