Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757119 | 0.89 | ALDH1A1 (0.40) | ALDH1A1ALOX15TRPV1GFERACAT2 | |
| SCHEMBL16410739 | 0.87 | KMT2A (0.39) | ALDH1A1ACAT2LMNATSHRNPC1 | |
| SCHEMBL16410622 | 0.85 | KMT2A (0.37) | ALDH1A1ACAT2NPC1RAB9AKMT2A | |
| SCHEMBL16410619 | 0.82 | LOXL2 (0.33) | ACAT2TSHRSMN1; SMN2KMT2A | |
| SCHEMBL17757538 | 0.81 | GAA (0.40) | ALDH1A1ALOX15KITNPC1RAB9A | |
| SCHEMBL17757736 | 0.81 | ALDH1A1 (0.39) | ALDH1A1ALOX15KITTSHRNPC1 | |
| SCHEMBL17757090 | 0.80 | ALDH1A1 (0.38) | ALDH1A1ALOX15TRPV1KITLMNA | |
| SCHEMBL16410616 | 0.80 | ACAT2 (0.39) | ACAT2 | |
| SCHEMBL16410790 | 0.80 | LMNA (0.36) | ALDH1A1ACAT2LMNAKMT2A | |
| SCHEMBL16410538 | 0.79 | KMT2A (0.32) | KMT2A |
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-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |