Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.40 |
| ▸ | TUBB | P07437 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5094631 | 0.80 | ACHE (0.56) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL2545682 | 0.80 | ACHE (0.56) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL7911729 | 0.78 | CYP1A1 (0.58) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL8428069 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL5094630 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL18593938 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL6335640 | 0.74 | CA2 (0.48) | ACHEMAPTCYP3A4CA9CYP1A2 | |
| SCHEMBL8351063 | 0.73 | PTGS2 (0.54) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL1337937 | 0.72 | ACHE (0.59) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL9111455 | 0.71 | PTGS2 (0.47) | ACHEMAPTCYP3A4CA9PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006041961-A1 | ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME | GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) | 2006-04-20 | — | — | WO | disclosed |