Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21913856 | 0.91 | ALDH1A1 (0.43) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL14952664 | 0.88 | ALDH1A1 (0.41) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL763069 | 0.88 | MEN1 (0.53) | CASP2NAAAMEN1KMT2AEPHX1 | |
| SCHEMBL16248536 | 0.87 | NAMPT (0.40) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL20729996 | 0.87 | ALB (0.38) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL23944184 | 0.87 | ALDH1A1 (0.40) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL16231545 | 0.87 | FOLH1 (0.42) | CASP2NAAAALDH1A1NOD1ALB | |
| SCHEMBL25129545 | 0.87 | ALDH1A1 (0.37) | CASP2NAAAMEN1KMT2AALDH1A1 | |
| SCHEMBL13461485 | 0.87 | CASP2 (0.54) | CASP2NAAAMEN1KMT2AEPHX1 | |
| SCHEMBL25132901 | 0.86 | ALB (0.37) | CASP2NAAAMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014197763-A1 | MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) | 2014-12-11 | — | — | WO | disclosed |