Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.33 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757653 | 0.86 | KMT2A (0.41) | KMT2ATSHRSSTR3ACAT2POLB | |
| SCHEMBL17757467 | 0.86 | KMT2A (0.41) | KMT2ATSHRSSTR3ACAT2POLB | |
| SCHEMBL14398518 | 0.86 | KMT2A (0.41) | KMT2ATSHRSSTR3ACAT2POLB | |
| SCHEMBL17757162 | 0.86 | EGFR (0.38) | KMT2ATSHRSSTR3MEN1ALDH1A1 | |
| SCHEMBL17757157 | 0.86 | EGFR (0.38) | KMT2ATSHRSSTR3ACHEMEN1 | |
| SCHEMBL17757634 | 0.85 | KMT2A (0.39) | KMT2ATSHRSSTR3ACAT2POLB | |
| SCHEMBL17757693 | 0.83 | KMT2A (0.41) | KMT2ATSHRSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL17757943 | 0.83 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL17757666 | 0.82 | KMT2A (0.38) | KMT2ATSHRSSTR3ACAT2POLB | |
| SCHEMBL17757640 | 0.81 | ACHE (0.38) | KMT2ATSHRSSTR3ACAT2POLB |
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-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |