Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.37 |
| ▸ | P2RX5 | Q93086 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL504002 | 0.71 | DPP4 (0.40) | DPP4 | |
| SCHEMBL638375 | 0.71 | DPP4 (0.40) | DPP4 | |
| SCHEMBL1285599 | 0.71 | DPP4 (0.40) | DPP4 | |
| SCHEMBL6567255 | 0.70 | EPHX2 (0.59) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL6567608 | 0.68 | P2RX7 (0.39) | ALDH1A1KDM4EHPGDP2RX4P2RX7 | |
| SCHEMBL16150319 | 0.66 | CYP3A4 (0.66) | ALDH1A1MEN1KMT2APOLBDHODH | |
| SCHEMBL6566838 | 0.64 | P2RX7 (0.53) | ALDH1A1KDM4EHPGDP2RX4P2RX7 | |
| SCHEMBL6907572 | 0.64 | CNR2 (0.36) | DPP4 | |
| SCHEMBL6907574 | 0.64 | CNR2 (0.36) | DPP4 | |
| SCHEMBL8415139 | 0.63 | MEN1 (0.62) | ALDH1A1HPGDMEN1KMT2APOLB |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |