Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033998 | 0.87 | ALDH1A1 (0.44) | CYP2D6ALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL4299022 | 0.86 | YAP1 (0.48) | MEN1KMT2ATSHROPRD1OPRK1 | |
| SCHEMBL4966883 | 0.83 | ALDH1A1 (0.41) | CYP2D6ALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL28854721 | 0.80 | SMN1; SMN2 (0.56) | CYP2D6ALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL27763130 | 0.80 | SMN1; SMN2 (0.53) | CYP2D6CYP2C19MEN1KMT2ANPC1 | |
| SCHEMBL5369952 | 0.78 | LMNA (0.50) | ALDH1A1MEN1KMT2AMAPK1NPC1 | |
| SCHEMBL31566797 | 0.77 | SMN1; SMN2 (0.53) | CYP2D6ALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL2280847 | 0.77 | SMN1; SMN2 (0.53) | CYP2D6ALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL31566888 | 0.77 | SMN1; SMN2 (0.53) | CYP2D6ALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL1446545 | 0.76 | SMN1; SMN2 (0.45) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297153-A1 | LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009131940-A1 | LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | WO | disclosed |