Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.69 |
| ▸ | RAB9A | P51151 | 13/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.69 |
| ▸ | HPGD | P15428 | 9/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.69 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.69 |
| ▸ | RELA | Q04206 | 2/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 6/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3336113 | 0.82 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL12543424 | 0.72 | NPC1 (0.80) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL20677815 | 0.72 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL17428022 | 0.72 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL227743 | 0.70 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29411978 | 0.70 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3170855 | 0.70 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL23566014 | 0.69 | KDM4E (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL12153689 | 0.69 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL15786288 | 0.68 | SMN1; SMN2 (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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-4749712-A | Antiinflammatory and/or analgesic 5-alkylthiophenes | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-06-07 | — | — | US | disclosed |