Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM6B | O15054 | 1/20 | 0.47 |
| ▸ | KDM5C | P41229 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.47 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.47 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL64763 | 0.88 | MAPK1 (0.67) | KDM4EMAPK1L3MBTL1HDAC1HDAC6 | |
| SCHEMBL30574349 | 0.88 | MAPK1 (0.67) | KDM4EMAPK1L3MBTL1HDAC1HDAC6 | |
| SCHEMBL30544993 | 0.86 | HDAC1 (0.62) | KDM4EHDAC1HDAC6HCAR3P4HA1 | |
| SCHEMBL181465 | 0.86 | HDAC1 (0.62) | KDM4EHDAC1HDAC6HCAR3P4HA1 | |
| SCHEMBL7528438 | 0.85 | MAPK1 (0.59) | KDM4EMAPK1L3MBTL1HDAC1HDAC6 | |
| SCHEMBL7741541 | 0.84 | HDAC1 (0.60) | KDM4EHDAC1HDAC6HCAR3P4HA1 | |
| SCHEMBL9504571 | 0.84 | HDAC1 (0.60) | KDM4EHDAC1HDAC6HCAR3P4HA1 | |
| SCHEMBL27889590 | 0.84 | HDAC1 (0.60) | KDM4EHDAC1HDAC6HCAR3P4HA1 | |
| Benzoic Acid SCHEMBL28287250 | 0.82 | HDAC1 (0.55) | HDAC1HDAC6HCAR3TSHRP4HA1 | |
| Terephthalic Acid SCHEMBL4349174 | 0.82 | TSHR (0.70) | KDM4EMAPK1L3MBTL1TDP1TSHR |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |