Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4354420 | 0.85 | EPHX1 (0.63) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL4354215 | 0.83 | EPHX1 (0.61) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL4345960 | 0.83 | EPHX1 (0.64) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL4359840 | 0.83 | MEN1 (0.54) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4348895 | 0.82 | EPHX1 (0.50) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL4350334 | 0.80 | EPHX1 (0.48) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL27391631 | 0.79 | TDP1 (0.57) | NPC1RAB9APOLBBCL2BCL2L1 | |
| SCHEMBL4350372 | 0.78 | RAB9A (0.71) | EPHX1EPHX2NPC1RAB9APOLB | |
| SCHEMBL4347114 | 0.77 | EPHX1 (0.57) | EPHX1EPHX2ROCK2NPC1RAB9A | |
| SCHEMBL23431981 | 0.76 | EPHX1 (1.00) | EPHX1EPHX2ROCK2NPC1RAB9A |
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 |