Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347508 | 0.88 | GRIK1 (0.44) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4350940 | 0.87 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4357618 | 0.82 | ALDH1A1 (0.48) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4345871 | 0.81 | GRIK1 (0.51) | KMT2ANPC1RAB9AKDM4EGRIK1 | |
| SCHEMBL4349655 | 0.80 | ALDH1A1 (0.43) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4349857 | 0.79 | POLB (0.41) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4356224 | 0.79 | GRIK1 (0.51) | KMT2ANPC1RAB9AKDM4EGRIK1 | |
| SCHEMBL4343611 | 0.78 | MAPT (0.49) | KMT2AMEN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4341321 | 0.78 | P2RX1 (0.50) | KMT2AMEN1NPC1RAB9AGRIK1 | |
| SCHEMBL4349028 | 0.78 | SMN1; SMN2 (0.50) | KMT2AMEN1NPC1RAB9AALDH1A1 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |