Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.61 |
| ▸ | RAB9A | P51151 | 9/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.61 |
| ▸ | PKM | P14618 | 5/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 6/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5056430 | 0.92 | NPC1 (0.69) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL12833521 | 0.83 | NPC1 (0.70) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6885365 | 0.81 | NPC1 (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6373232 | 0.80 | NPC1 (0.49) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL172216 | 0.78 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30561047 | 0.78 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30634854 | 0.78 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| Water SCHEMBL9817804 | 0.76 | NPC1 (0.95) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL5056429 | 0.76 | RAB9A (0.64) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3170855 | 0.76 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 |
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-2004082621-A2 | NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BETHESDA PHARMACEUTICALS, INC. (US) | 2004-09-30 | — | — | WO | disclosed |