Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 6/20 | 0.53 |
| ▸ | CASR | P41180 | 5/20 | 0.50 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.50 |
| ▸ | IDH1 | O75874 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HTR5A | P47898 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1999869 | 1.00 | PFKFB3 (0.53) | PFKFB3CASRKCNH3IDH1SMN1; SMN2 | |
| SCHEMBL7896995 | 0.86 | CASR (0.59) | PFKFB3CASRKCNH3LMNAHTT | |
| SCHEMBL10480049 | 0.78 | GAA (0.53) | KCNH3IDH1 | |
| SCHEMBL4388171 | 0.78 | GAA (0.53) | KCNH3IDH1 | |
| SCHEMBL1679423 | 0.78 | CSF1R (0.58) | PFKFB3CASR | |
| SCHEMBL2521168 | 0.78 | PFKFB3 (0.48) | PFKFB3CASRSMN1; SMN2HTR1AADRA2B | |
| SCHEMBL2519181 | 0.78 | PFKFB3 (0.48) | PFKFB3CASRSMN1; SMN2HTR1AADRA2B | |
| SCHEMBL29560785 | 0.77 | KCNH3 (0.53) | PFKFB3KCNH3IDH1SMN1; SMN2 | |
| SCHEMBL15102653 | 0.77 | KCNH3 (0.53) | PFKFB3KCNH3IDH1SMN1; SMN2 | |
| SCHEMBL19286306 | 0.76 | CASR (0.59) | PFKFB3CASRSMN1; SMN2HTR1AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010085246-A1 | 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS | PRAECIS PHARMACEUTICALS INC (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085246-A1 | 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS | PRAECIS PHARMACEUTICALS INC (US) | 2010-07-29 | — | — | WO | disclosed |