Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702399 | 0.85 | KDM4E (0.54) | NOS3NOS2NPY5RMAOAKDM4E | |
| SCHEMBL30920956 | 0.84 | CYP2A6 (0.40) | NOS3NOS2NPY5RMAOAKDM4E | |
| SCHEMBL7697911 | 0.82 | NOS3 (0.45) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL7705613 | 0.82 | NOS3 (0.45) | NOS3NOS2MAOAKDM4ENISCH | |
| SCHEMBL7701128 | 0.82 | CYP1A2 (0.46) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL7702917 | 0.82 | NPY5R (0.51) | NPY5RKDM4ELMNACCR1CCR5 | |
| SCHEMBL7705661 | 0.81 | NOS3 (0.44) | NOS3NOS2MAOAKDM4ELMNA | |
| SCHEMBL7705902 | 0.80 | NOS3 (0.46) | NOS3NOS2MAOAKDM4ELMNA | |
| SCHEMBL7704052 | 0.79 | GRIN2D (0.45) | NOS3NOS2MAOAKDM4ELMNA | |
| SCHEMBL7702378 | 0.78 | NPY5R (0.54) | NPY5RMAOALMNAALDH1A1NPC1 |
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 |