Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1661398 | 0.85 | KLKB1 (0.39) | NPC1RAB9ASMN1; SMN2MAPK1MAPT | |
| SCHEMBL12697429 | 0.84 | KCNQ3 (0.37) | SMN1; SMN2LMNAALDH1A1HPGDTP53 | |
| SCHEMBL1986370 | 0.84 | KCNQ3 (0.37) | SMN1; SMN2LMNAALDH1A1HPGDTP53 | |
| SCHEMBL1659194 | 0.81 | KLKB1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL1659330 | 0.81 | POLB (0.40) | NPC1RAB9ASMN1; SMN2KLKB1POLB | |
| SCHEMBL1658941 | 0.81 | KLKB1 (0.40) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL1659509 | 0.80 | KLKB1 (0.39) | KLKB1POLB | |
| SCHEMBL1660143 | 0.80 | LMNA (0.33) | SMN1; SMN2LMNAALDH1A1KLKB1TP53 | |
| SCHEMBL1660515 | 0.79 | SCN9A (0.40) | RAB9AGAAKLKB1POLB | |
| SCHEMBL1660048 | 0.79 | TRPV1 (0.33) | SMN1; SMN2LMNATP53POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307394-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | EP | disclosed |