Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 6/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4469931 | 0.83 | KIF11 (0.38) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL618737 | 0.73 | MAPT (0.48) | KCNN4KIF11MAPTKMT2ACYP1A2 | |
| SCHEMBL1701240 | 0.72 | KCNN4 (0.53) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL12264172 | 0.71 | CASP1 (0.44) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL28773064 | 0.69 | KIF11 (0.38) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL27824023 | 0.69 | KCNN4 (0.53) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL4462667 | 0.68 | KCNN4 (0.64) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL5967507 | 0.68 | KCNN4 (0.49) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL3218104 | 0.68 | KCNN4 (0.52) | KCNN4KIF11HTR2AHTR2CADRA1A | |
| SCHEMBL11849509 | 0.67 | KCNN4 (0.51) | KCNN4KIF11HTR2AHTR2CADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918514-A4 | TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE | HARVARD COLLEGE (US) | 2001-05-09 | — | — | EP | disclosed |
| EP-0918514-A1 | TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997034589-A1 | TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1997-09-25 | — | — | WO | disclosed |