Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28719261 | 0.85 | TSHR (0.46) | KDM4EMEN1MAPTHPGDKMT2A | |
| SCHEMBL29565104 | 0.85 | — | — | |
| SCHEMBL71324 | 0.85 | — | — | |
| Iodide SCHEMBL4017979 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Bromide SCHEMBL27523623 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Methane SCHEMBL28845870 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL6679000 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL7541993 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Ammonia Solution, Strong SCHEMBL27579641 | 0.83 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Pyridine SCHEMBL28568000 | 0.78 | SMN1; SMN2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101242844-A | Aminopyrimidines as kinase modulators | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-13 | — | — | CN | disclosed |
| CN-101242843-A | Aminopyrimidines as kinase modulators | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-13 | — | — | CN | disclosed |