Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 7/20 | 0.34 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757739 | 0.91 | ACAT2 (0.37) | PARP1ACAT2NOS1NOS2MAPT | |
| SCHEMBL17757089 | 0.90 | ROCK2 (0.33) | PARP1ACAT2 | |
| SCHEMBL17757507 | 0.90 | ICMT (0.31) | PARP1 | |
| SCHEMBL17992136 | 0.88 | TSHR (0.36) | TSHRPARP1ACAT2KMT2AESR1 | |
| SCHEMBL17757117 | 0.88 | ACAT2 (0.37) | ACAT2KMT2AMAPTKDM4ENPC1 | |
| SCHEMBL19523253 | 0.87 | TSHR (0.44) | TSHRPARP1KMT2AMEN1ESR1 | |
| SCHEMBL17757114 | 0.87 | ACAT2 (0.39) | TSHRACAT2KMT2AMEN1NOS2 | |
| SCHEMBL14398518 | 0.85 | KMT2A (0.41) | TSHRACAT2KMT2AMAPTKDM4E | |
| SCHEMBL17757467 | 0.85 | KMT2A (0.41) | TSHRACAT2KMT2AMAPTKDM4E | |
| SCHEMBL17757653 | 0.85 | KMT2A (0.41) | TSHRACAT2KMT2AMAPTKDM4E |
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 |