Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 4/20 | 0.45 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342201 | 0.88 | EPHX2 (0.45) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4353865 | 0.86 | EPHX2 (0.46) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4359460 | 0.86 | EPHX2 (0.46) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4346166 | 0.83 | TSHR (0.49) | EPHX2NPC1RAB9AALDH1A1P2RX1 | |
| SCHEMBL4341297 | 0.82 | KMT2A (0.43) | EPHX2MTORNPC1RAB9AALDH1A1 | |
| SCHEMBL4348981 | 0.81 | EPHX2 (0.43) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4347077 | 0.80 | EPHX2 (0.45) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4348054 | 0.80 | EPHX2 (0.45) | EPHX2MTORBAZ1AKIF11TGM2 | |
| SCHEMBL4341863 | 0.80 | HDAC3 (0.48) | EPHX2MTORTRPV1 | |
| SCHEMBL4341321 | 0.79 | P2RX1 (0.50) | EPHX2MTORBAZ1AKIF11TGM2 |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |