Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | TP53 | P04637 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | EDNRA | P25101 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14985208 | 0.77 | NPC1 (0.74) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL31110100 | 0.75 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL2175908 | 0.75 | RAB9A (0.77) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL3582201 | 0.74 | ALDH1A1 (0.59) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL1703373 | 0.73 | NPC1 (0.56) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL2060568 | 0.71 | GAA (0.44) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL14648355 | 0.71 | RAB9A (1.00) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL1704278 | 0.71 | CISD2 (0.53) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL18175982 | 0.70 | MEN1 (0.71) | SMN1; SMN2NPC1RAB9ATP53MAPT | |
| SCHEMBL12839916 | 0.70 | NPC1 (0.70) | SMN1; SMN2NPC1RAB9ATP53MAPT |
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-2013078138-A1 | PROTON NMR SPECTROSCOPY FOR BIOCHEMICAL SCREENING | OSI Pharmaceuticals, LLC (US) | 2013-05-30 | — | — | WO | disclosed |