Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 7/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LIG1 | P18858 | 2/20 | 0.51 |
| ▸ | LIG3 | P49916 | 1/20 | 0.51 |
| ▸ | GRK3 | P35626 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL690273 | 0.89 | GRK2 (0.65) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL690272 | 0.89 | GRK2 (0.65) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL1670001 | 0.85 | GRK2 (0.62) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL1669998 | 0.85 | GRK2 (0.62) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL14082231 | 0.84 | CFTR (0.59) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL14082217 | 0.83 | MEN1 (0.67) | GRK2MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL1669993 | 0.82 | GRK2 (0.65) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL1669995 | 0.82 | GRK2 (0.65) | GRK2ROCK2MAPTMEN1KMT2A | |
| SCHEMBL14082240 | 0.82 | MEN1 (0.63) | GRK2MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL3631238 | 0.82 | GRK2 (0.55) | GRK2ROCK2MAPTMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414037-B2 | cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-08-19 | — | — | US | disclosed |