Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 8/20 | 0.71 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | BRAF | P15056 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | IDH1 | O75874 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349998 | 0.87 | EPHX2 (0.73) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL11555827 | 0.84 | EPHX2 (1.00) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL4343951 | 0.84 | EPHX2 (0.69) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL4106154 | 0.84 | EPHX2 (0.69) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL12217997 | 0.82 | EPHX2 (0.86) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL18031167 | 0.82 | EPHX2 (0.86) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL4351078 | 0.80 | MEN1 (0.67) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL4352985 | 0.80 | CA12 (0.58) | FAAHMAPTMEN1KMT2ANPSR1 | |
| SCHEMBL26154100 | 0.80 | EPHX2 (0.71) | EPHX2FAAHMAPTMEN1TP53 | |
| SCHEMBL6229951 | 0.79 | CA12 (0.60) | FAAHMAPTMEN1TP53HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| 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 |