Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | FABP1 | P07148 | 1/20 | 0.47 |
| ▸ | FABP6 | P51161 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7886097 | 0.86 | NOS2 (0.52) | NPC1RAB9AHDAC1HDAC6EGFR | |
| SCHEMBL7091910 | 0.84 | L3MBTL1 (0.46) | KDM4ENPC1RAB9AHDAC1HDAC6 | |
| SCHEMBL7096045 | 0.83 | LRRK2 (0.43) | HDAC1EGFRENPP1ROCK2PRKCG | |
| SCHEMBL7097039 | 0.83 | EGFR (0.42) | NPC1RAB9AEGFRMEN1KMT2A | |
| SCHEMBL7094580 | 0.81 | RAB9A (0.46) | KDM4ERAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL7096396 | 0.80 | CDC7 (0.42) | KDM4EGAAHDAC1HDAC6EGFR | |
| SCHEMBL7097405 | 0.79 | KDM4E (0.41) | KDM4EGAAEGFRKMT2AENPP1 | |
| SCHEMBL7090927 | 0.78 | GAA (0.46) | KDM4ENPC1RAB9AGAATP53 | |
| SCHEMBL7094646 | 0.78 | NAMPT (0.42) | KDM4EGAAMEN1KMT2AENPP1 | |
| SCHEMBL7000848 | 0.76 | ALDH1A1 (0.49) | KDM4ENPC1RAB9AGAATP53 |
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-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |