Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 5/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5325413 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPSR1KDM4EHTR2CHTR2A | |
| SCHEMBL5329629 | 0.80 | KDM4E (0.45) | ALDH1A1NPSR1KDM4EMEN1KMT2A | |
| SCHEMBL5333492 | 0.77 | HTR2B (0.51) | ALDH1A1NPSR1KDM4EHTR2CMEN1 | |
| SCHEMBL5328078 | 0.77 | KDM4E (0.51) | ALDH1A1NPSR1KDM4EHTR2CHTR2A | |
| SCHEMBL5362566 | 0.76 | KDM4E (0.50) | ALDH1A1NPSR1KDM4EMEN1KMT2A | |
| SCHEMBL5370061 | 0.75 | ALDH1A1 (0.46) | ALDH1A1NPSR1KDM4EHTR2CHTR2A | |
| SCHEMBL5331465 | 0.73 | KDM4E (0.52) | ALDH1A1NPSR1KDM4EMEN1KMT2A | |
| SCHEMBL5324855 | 0.73 | KDM4E (0.48) | ALDH1A1NPSR1KDM4EMEN1KMT2A | |
| SCHEMBL5332944 | 0.72 | ALDH1A1 (0.54) | ALDH1A1NPSR1KDM4EHTR2CHTR2A | |
| SCHEMBL14346341 | 0.72 | CA1 (0.48) | ALDH1A1KDM4EMAPTTP53 |
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-2007146230-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2007-12-21 | — | — | WO | claimed |