Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5541542 | 0.82 | MAPT (0.49) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL5541531 | 0.79 | NPC1 (0.47) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL4638002 | 0.79 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL10833758 | 0.79 | NPC1 (0.44) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL4638829 | 0.74 | NPC1 (0.40) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL31469380 | 0.74 | MAPK13 (0.54) | MAPTRAB9ASMN1; SMN2TP53HPGD | |
| SCHEMBL5547946 | 0.71 | NPC1 (0.46) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL10832282 | 0.70 | KMT2A (0.45) | NPC1MAPTKMT2AHSD17B10L3MBTL1 | |
| SCHEMBL10832274 | 0.69 | RXRA (0.57) | KMT2AHSD17B10 | |
| SCHEMBL5547942 | 0.69 | NPC1 (0.43) | NPC1MAPTRAB9ASMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| CN-1649849-A | Tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-08-03 | — | — | CN | disclosed |