Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345992 | 0.85 | EPHX1 (0.61) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4347426 | 0.84 | EPHX1 (0.67) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4347666 | 0.84 | ALDH1A1 (0.57) | EPHX1EPHX2NPC1SMN1; SMN2S1PR1 | |
| SCHEMBL4355518 | 0.80 | EPHX1 (0.58) | EPHX1EPHX2NPC1RAB9AROCK2 | |
| SCHEMBL4352171 | 0.80 | RAB9A (0.79) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6229644 | 0.78 | EPHX1 (0.70) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3231353 | 0.78 | HDAC6 (0.59) | NPC1RAB9APOLBNAMPT | |
| SCHEMBL12196146 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9AROCK2 | |
| SCHEMBL23432014 | 0.76 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12196136 | 0.76 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 |
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 |