Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 6/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2877863 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL457447 | 0.84 | MAOA (0.34) | MAOAMAOBALDH1A1MAPTRAB9A | |
| SCHEMBL2877739 | 0.81 | MAPT (0.51) | MAOAMAOBALDH1A1MAPTRAB9A | |
| SCHEMBL456909 | 0.81 | BCHE (0.43) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL456490 | 0.80 | KDM4E (0.43) | ALDH1A1MAPTRAB9ASMN1; SMN2HTT | |
| SCHEMBL456579 | 0.79 | ALDH1A1 (0.51) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL455312 | 0.78 | MAPT (0.42) | ALDH1A1MAPTNPC1SMN1; SMN2HTT | |
| SCHEMBL457421 | 0.78 | LRRK2 (0.42) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL455238 | 0.78 | RAB9A (0.44) | MAOAMAOBALDH1A1MAPTRAB9A | |
| SCHEMBL456608 | 0.78 | CYP1A2 (0.49) | MAOAMAOBALDH1A1MAPTRAB9A |
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 |