Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.48 |
| ▸ | ABL1 | P00519 | 3/20 | 0.48 |
| ▸ | BCR | P11274 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17775114 | 0.82 | NPC1 (0.53) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL13791094 | 0.82 | NPC1 (0.53) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL16748049 | 0.80 | NPC1 (0.52) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL3614957 | 0.79 | CYP11B1 (0.53) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL30979870 | 0.79 | CYP11B1 (0.53) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL11695594 | 0.78 | MAPT (0.54) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL3743494 | 0.78 | ABL1 (0.71) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL920933 | 0.78 | ABL1 (0.71) | NPC1RAB9ATP53MAPK1CASP3 | |
| SCHEMBL14228677 | 0.77 | NFE2L2 (0.41) | NPC1RAB9ASMN1; SMN2ESR2CYP11B1 | |
| SCHEMBL2833469 | 0.77 | NPC1 (0.57) | NPC1RAB9ATP53MAPK1CASP3 |
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-6248265-B1 | Clean generation of a fluoroaryl grignard reagent | ALBEMARLE CORPORATION | 2001-06-19 | — | — | US | disclosed |