Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL20347155 | 0.84 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL20333380 | 0.83 | KMT2A (0.60) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1685916 | 0.81 | SMN1; SMN2 (0.48) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL13152874 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL13185636 | 0.77 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| Iodide SCHEMBL30758625 | 0.75 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL4173457 | 0.74 | TRPV1 (0.72) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL27727249 | 0.74 | PPARA (0.53) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| N-Phenylbenzamide SCHEMBL8372229 | 0.74 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL5154816 | 0.73 | PTPN1 (0.69) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |