Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL469802 | 0.87 | MAPT (0.51) | KDRMEN1KMT2AGAAMAPT | |
| SCHEMBL469854 | 0.87 | KDR (0.56) | KDRMEN1KMT2AGAAMAPT | |
| SCHEMBL31491999 | 0.85 | LRRK2 (0.53) | KDRKMT2AGAAMAPTCA12 | |
| SCHEMBL10084866 | 0.85 | LRRK2 (0.53) | KDRKMT2AGAAMAPTCA12 | |
| SCHEMBL10085722 | 0.85 | KDR (0.61) | KDRMAPTCA12CA1CA2 | |
| SCHEMBL18974340 | 0.85 | KDR (0.49) | KDRMEN1KMT2AGAAMAPT | |
| SCHEMBL469805 | 0.84 | KDR (0.47) | KDRMEN1KMT2AGAAMAPT | |
| SCHEMBL14075826 | 0.84 | MAPT (0.56) | KDRMEN1KMT2AGAAMAPT | |
| SCHEMBL455312 | 0.84 | MAPT (0.42) | MEN1KMT2AGAAMAPTTDP1 | |
| SCHEMBL470031 | 0.84 | MAPT (0.56) | KDRMEN1KMT2AGAAMAPT |
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-2012033601-A1 | THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2012-03-15 | — | — | WO | disclosed |