Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | IDO1 | P14902 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9453890 | 0.88 | ALDH1A1 (0.65) | MAPTKDM4EALDH1A1SMN1; SMN2GAA | |
| SCHEMBL455344 | 0.83 | IDO1 (0.78) | MAPTKDM4EIDO1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14129389 | 0.82 | ALDH1A1 (0.57) | MAPTALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL5523228 | 0.80 | KIF11 (0.59) | MAPTALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL1642748 | 0.79 | IDO1 (0.67) | MAPTKDM4EIDO1ALDH1A1SMN1; SMN2 | |
| SCHEMBL25494263 | 0.78 | HTT (0.64) | MAPTKDM4EALDH1A1SMN1; SMN2GAA | |
| SCHEMBL455272 | 0.78 | IDO1 (0.64) | MAPTKDM4EIDO1ALDH1A1SMN1; SMN2 | |
| SCHEMBL18401220 | 0.78 | RAB9A (0.56) | MAPTALDH1A1SMN1; SMN2GAANPC1 | |
| SCHEMBL3860141 | 0.78 | KDM4E (1.00) | MAPTKDM4EIDO1ALDH1A1GAA | |
| SCHEMBL4178607 | 0.77 | ALDH1A1 (0.56) | MAPTKDM4EALDH1A1SMN1; SMN2GAA |
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 |