Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.56 |
| ▸ | RAB9A | P51151 | 10/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8820948 | 0.86 | SMN1; SMN2 (0.51) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL12171512 | 0.79 | NPC1 (0.69) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8821013 | 0.78 | CA2 (0.57) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8821078 | 0.76 | NPC1 (0.44) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL5959967 | 0.73 | SMN1; SMN2 (0.85) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8820967 | 0.73 | NR1H4 (0.50) | NPC1RAB9ASMN1; SMN2LMNATSHR | |
| SCHEMBL11711972 | 0.71 | NPC1 (0.61) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3736895 | 0.71 | NPC1 (0.72) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8821024 | 0.71 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8821034 | 0.71 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997044333-A1 | 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1997-11-27 | — | — | WO | claimed |
| WO-1997044333-A1 | 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1997-11-27 | — | — | WO | disclosed |