Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.64 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493992 | 0.89 | MAPK1 (0.57) | POLBMAPK1NPC1RAB9ATP53 | |
| SCHEMBL5784679 | 0.88 | MTNR1B (0.58) | MTNR1AMTNR1BPOLBNPC1RAB9A | |
| SCHEMBL171425 | 0.85 | MTNR1A (0.79) | MTNR1AMTNR1BPOLBTSHRNPC1 | |
| SCHEMBL29875454 | 0.85 | MTNR1A (0.79) | MTNR1AMTNR1BPOLBTSHRNPC1 | |
| Acetic Acid SCHEMBL28264765 | 0.82 | MTNR1A (0.74) | MTNR1AMTNR1BTSHRNPC1RAB9A | |
| SCHEMBL9306299 | 0.80 | TSHR (0.71) | MTNR1AMTNR1BTSHRMAPK1NPC1 | |
| SCHEMBL1162352 | 0.78 | TDP1 (0.56) | POLBMAPK1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2555975 | 0.78 | TDP1 (0.73) | POLBMAPK1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL10811158 | 0.77 | MTNR1A (0.67) | MTNR1AMTNR1BTSHRNPC1RAB9A | |
| SCHEMBL12970763 | 0.77 | TDP1 (0.55) | POLBMAPK1NPC1RAB9ASMN1; SMN2 |
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-1725540-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095359-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |