Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 8/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7785163 | 1.00 | MEN1 (0.34) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL8537305 | 0.75 | RAB9A (0.43) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL7785156 | 0.73 | ALDH1A1 (0.41) | MAPTNPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL7785155 | 0.73 | ALDH1A1 (0.41) | MAPTNPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL7787058 | 0.71 | THRB (0.36) | MAPTSMN1; SMN2TDP1TSHR | |
| SCHEMBL7787055 | 0.71 | THRB (0.36) | MAPTSMN1; SMN2TDP1TSHR | |
| SCHEMBL7787357 | 0.69 | — | — | |
| SCHEMBL7787356 | 0.69 | — | — | |
| SCHEMBL11509828 | 0.67 | — | — | |
| SCHEMBL8537307 | 0.67 | TSHR (0.42) | KMT2AMAPTNPC1RAB9ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251949-B1 | AGRICULTURAL FUNGICIDE, ALSO HAS TACHYKININ RECEPTOR ANTAGONSITIC EFFECT, AND THUS IS USEFUL AS PHARMECEUTICAL | SHIONOGI & CO., LTD. (JP) | 2001-06-26 | — | — | US | disclosed |
| US-6096741-A | FUNGICIDES, TACHYKININ ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| EP-0940388-A1 | OXIME DERIVATIVES, HYDRAZONE DERIVATIVES, AND USE THEREOF | SHIONOGI & CO., LTD. (JP) | 1999-09-08 | — | — | EP | disclosed |