Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345909 | 0.87 | KDM4E (0.66) | MAPTKDM4EPOLBGAACYP1A2 | |
| SCHEMBL4351431 | 0.85 | DDX3X (0.53) | MAPTKDM4EPOLBGAANPSR1 | |
| SCHEMBL4347852 | 0.84 | GRIK1 (0.55) | MAPTKDM4EPOLBGAACYP1A2 | |
| SCHEMBL4341765 | 0.83 | KMT2A (0.54) | MAPTKDM4EPOLBGAANPSR1 | |
| SCHEMBL4343433 | 0.79 | DHODH (0.47) | MAPTGAANPSR1RAB9ATRPV1 | |
| SCHEMBL4348023 | 0.78 | MEN1 (0.55) | MAPTPOLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4343934 | 0.77 | TRPV1 (0.65) | MAPTKDM4EPOLBGAACYP1A2 | |
| SCHEMBL4349179 | 0.76 | MAPT (0.61) | MAPTGAARAB9AKMT2AMEN1 | |
| SCHEMBL4355878 | 0.76 | MEN1 (0.54) | MAPTCYP2C19NPSR1KMT2AMEN1 | |
| SCHEMBL4350014 | 0.75 | GRIK1 (0.62) | MAPTKDM4EPOLBGAACYP1A2 |
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 3 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 |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |