Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345413 | 0.87 | MAPT (0.50) | EPHX1EPHX2RAB9AKMT2AMEN1 | |
| SCHEMBL4342044 | 0.81 | RAB9A (0.76) | EPHX1EPHX2RAB9AKMT2AMEN1 | |
| SCHEMBL4347426 | 0.80 | EPHX1 (0.67) | EPHX1EPHX2RAB9AKMT2AMEN1 | |
| SCHEMBL4354420 | 0.80 | EPHX1 (0.63) | EPHX1EPHX2RAB9AMAPTROCK2 | |
| SCHEMBL4345416 | 0.78 | MAPT (0.44) | EPHX1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL6229644 | 0.75 | EPHX1 (0.70) | EPHX1EPHX2RAB9AKMT2AMEN1 | |
| SCHEMBL27782790 | 0.74 | EPHX1 (0.50) | EPHX1EPHX2RAB9AKMT2AMEN1 | |
| SCHEMBL4354177 | 0.74 | MEN1 (0.57) | RAB9AKMT2AMEN1MAPTATG4B | |
| SCHEMBL7207168 | 0.74 | MAPT (0.56) | EPHX1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL3928131 | 0.74 | MAPT (0.51) | RAB9AKMT2AMEN1MAPTNPC1 |
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 |