Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.71 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11555827 | 0.84 | EPHX2 (1.00) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL4349998 | 0.84 | EPHX2 (0.73) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL4346219 | 0.83 | EPHX2 (0.71) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL18031167 | 0.82 | EPHX2 (0.86) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL4348910 | 0.81 | EPHX2 (0.69) | EPHX2RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL11012192 | 0.79 | EPHX2 (0.76) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL4346994 | 0.79 | EPHX2 (0.61) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL2872598 | 0.79 | EPHX2 (0.69) | EPHX2FAAHNPC1RAB9AKMT2A | |
| SCHEMBL22103767 | 0.79 | EPHX2 (0.86) | EPHX2FAAHNPC1RAB9AMAPT | |
| SCHEMBL12217997 | 0.79 | EPHX2 (0.86) | EPHX2FAAHNPC1RAB9AMAPT |
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 |