Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19534377 | 0.89 | ALDH1A1 (0.47) | NPC1RAB9ALMNAMAPTALDH1A1 | |
| SCHEMBL21082225 | 0.89 | ALDH1A1 (0.47) | NPC1RAB9ALMNAMAPTALDH1A1 | |
| SCHEMBL15237903 | 0.87 | LMNA (0.36) | NPC1RAB9AMEN1LMNAKMT2A | |
| SCHEMBL254376 | 0.87 | CA2 (0.43) | NPC1RAB9AMEN1LMNAKMT2A | |
| SCHEMBL254900 | 0.85 | ANPEP (0.39) | NPC1RAB9A | |
| SCHEMBL254947 | 0.84 | NPC1 (0.40) | NPC1RAB9ALMNACA2ESRRG | |
| SCHEMBL254164 | 0.77 | NPC1 (0.36) | NPC1RAB9ACA2ESRRGADRB2 | |
| SCHEMBL23626445 | 0.77 | HPGDS (0.48) | NPC1RAB9ALMNAMAPTCA2 | |
| SCHEMBL254843 | 0.77 | KDM4E (0.37) | NPC1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL19684080 | 0.75 | NPC1 (0.37) | NPC1RAB9AMEN1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |