Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.63 |
| ▸ | POLB | P06746 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4357537 | 0.87 | MAPT (0.53) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL4343934 | 0.86 | TRPV1 (0.65) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL4350014 | 0.84 | GRIK1 (0.62) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL4346840 | 0.84 | TRPV1 (0.63) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL4341621 | 0.83 | KDM4E (0.66) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL4348726 | 0.83 | KDM4E (0.66) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL30393282 | 0.81 | KDM4E (0.82) | KDM4EMAPTPOLBRAB9AKMT2A | |
| SCHEMBL1276481 | 0.81 | KDM4E (0.82) | KDM4EMAPTPOLBRAB9AKMT2A | |
| SCHEMBL11050469 | 0.81 | KDM4E (0.77) | KDM4EMAPTTRPV1POLBRAB9A | |
| SCHEMBL6673848 | 0.80 | KDM4E (1.00) | KDM4EMAPTTRPV1POLBRAB9A |
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 |