Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 3/20 | 0.42 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4358931 | 0.88 | EPHX2 (0.49) | EPHX2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4341321 | 0.86 | P2RX1 (0.50) | EPHX2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4348078 | 0.84 | TSHR (0.45) | P2RX1P2RX4P2RX7TMPRSS4NPC1 | |
| SCHEMBL4345622 | 0.84 | ESR1 (0.44) | EPHX2TMPRSS4NPC1RAB9AMEN1 | |
| SCHEMBL4345489 | 0.82 | CA12 (0.47) | EPHX2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4354019 | 0.81 | HDAC1 (0.45) | MTORCA12CA1CA2TRPV1 | |
| SCHEMBL4349669 | 0.79 | P2RX1 (0.43) | P2RX1P2RX4P2RX7TMPRSS4NPC1 | |
| SCHEMBL4359460 | 0.78 | EPHX2 (0.46) | EPHX2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4353865 | 0.78 | EPHX2 (0.46) | EPHX2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4350940 | 0.78 | KMT2A (0.44) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |