Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.38 |
| ▸ | ECE2 | P0DPD6 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27545326 | 0.83 | KDM4E (0.42) | HTR1BHTR2BGPR65TDP1KMT2A | |
| SCHEMBL5748954 | 0.75 | HTR1B (0.39) | HTR1BHTR2BGPR65HSD17B10TDP1 | |
| SCHEMBL5745878 | 0.71 | HTR1B (0.67) | HTR1BHTR2BGPR65TDP1NPSR1 | |
| SCHEMBL5746700 | 0.71 | HTR1B (0.44) | HTR1BHTR2BGPR65HSD17B10TDP1 | |
| SCHEMBL5750655 | 0.71 | HTR1B (0.44) | HTR1BHTR2BGPR65HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL5748498 | 0.68 | BCHE (0.42) | HTR1BHTR2BGPR65KCNH2TDP1 | |
| SCHEMBL5748953 | 0.67 | HTR1B (0.46) | HTR1BHTR2BGPR65KCNH2TDP1 | |
| SCHEMBL27545315 | 0.65 | HTR1B (0.34) | HTR1BHTR2BGPR65 | |
| SCHEMBL16971020 | 0.64 | ECE2 (0.62) | ECE2TDP1KMT2AMEN1MAPT | |
| SCHEMBL16971021 | 0.64 | ECE2 (0.62) | ECE2TDP1KMT2AMEN1MAPT |
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-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |