Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ESRRA | P11474 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12437198 | 0.86 | MAPT (0.52) | CYP3A4ESRRAMAPTKMT2AMEN1 | |
| SCHEMBL275650 | 0.85 | CYP3A4 (0.45) | CYP3A4ESRRAMAPTKMT2AMEN1 | |
| SCHEMBL12323596 | 0.83 | ERN1 (0.47) | MAPTKMT2AERN1ALDH1A1USP2 | |
| SCHEMBL3647722 | 0.76 | ALDH1A1 (0.53) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL30129776 | 0.76 | ALDH1A1 (0.53) | MAPTKMT2AMEN1NPC1RAB9A | |
| SCHEMBL3510198 | 0.74 | ALDH1A1 (0.45) | MAPTKMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4715538 | 0.73 | ALDH1A1 (0.55) | CYP3A4MAPTKMT2AMEN1NPC1 | |
| SCHEMBL31084750 | 0.73 | ERN1 (0.58) | CYP3A4MAPTKMT2AMEN1ERN1 | |
| SCHEMBL310021 | 0.73 | ERN1 (0.58) | CYP3A4MAPTKMT2AMEN1ERN1 | |
| Methyl 3-Chloro-4-Methoxybenzoate SCHEMBL1637523 | 0.73 | KMT2A (0.69) | CYP3A4MAPTKMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2229396-B1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-08-10 | — | — | EP | disclosed |