Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.50 |
| ▸ | CTSV | O60911 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6885591 | 0.89 | NPC1 (0.49) | ERN1CTSVCTSLHTR1AADRA1D | |
| SCHEMBL6620053 | 0.82 | PTGER4 (0.48) | ERN1CTSVCTSLALDH1A1HPGD | |
| SCHEMBL6881308 | 0.81 | L3MBTL1 (0.48) | ERN1ALDH1A1HTR1ALMNASMN1; SMN2 | |
| SCHEMBL6886238 | 0.79 | L3MBTL1 (0.47) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3952955 | 0.79 | SMN1; SMN2 (0.45) | CTSVCTSLHTR1AADRA1DADRA1A | |
| SCHEMBL6887763 | 0.78 | HDAC8 (0.53) | HTR1AHTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6886594 | 0.78 | CCNB2 (0.47) | HTR1ALMNAMAPK1NPC1MRGPRX4 | |
| SCHEMBL4747321 | 0.77 | S1PR5 (0.54) | ERN1ALDH1A1HPGDLMNAHTT | |
| SCHEMBL3950505 | 0.76 | PTGER4 (0.62) | ALDH1A1HPGDLMNASMN1; SMN2NPC1 | |
| SCHEMBL416384 | 0.76 | ERN1 (0.58) | ERN1CTSVCTSLALDH1A1HTR1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924264-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025925-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |
| 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 |