Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | HRH1 | P35367 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701012 | 0.82 | NOS3 (0.49) | NOS3NOS2ADRA1AADRA1BADRA1D | |
| SCHEMBL7697911 | 0.78 | NOS3 (0.45) | NOS3NOS2CYP19A1CYP11B2MAOA | |
| SCHEMBL30920956 | 0.77 | CYP2A6 (0.40) | NOS3NOS2ADRA1AMAOANISCH | |
| SCHEMBL7705661 | 0.77 | NOS3 (0.44) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL31083746 | 0.76 | CYP11B1 (0.54) | NOS3NOS2CYP19A1CYP11B2NISCH | |
| SCHEMBL29537716 | 0.76 | CYP11B1 (0.54) | NOS3NOS2CYP19A1CYP11B2NISCH | |
| SCHEMBL10426776 | 0.76 | ADRB2 (0.48) | ADRA1AADRA1BADRA1DCYP11B2MAOA | |
| SCHEMBL7699089 | 0.76 | NOS3 (0.49) | NOS3NOS2CYP19A1CYP11B2MAOA | |
| SCHEMBL7704052 | 0.75 | GRIN2D (0.45) | NOS3NOS2ADRA1AADRA1BADRA1D | |
| SCHEMBL7698058 | 0.74 | NOS3 (0.44) | NOS3NOS2MAOACYP2D6KDM4E |
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-0901488-B1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| EP-0901488-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5866583-A | Substituted 2,4-diaminopyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1997043277-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-20 | — | — | WO | disclosed |