Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28952769 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTNPSR1GAA | |
| SCHEMBL4619473 | 0.84 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9AIDO1TDP1 | |
| Thiourea SCHEMBL4774502 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9AIDO1TDP1 | |
| SCHEMBL28344499 | 0.79 | ALDH1A1 (0.43) | ALDH1A1RAB9ATDP1MAPTPLAU | |
| SCHEMBL21777201 | 0.77 | MAPT (0.42) | ALDH1A1IDO1MAPTSLC22A2SLC22A1 | |
| SCHEMBL11635936 | 0.77 | LMNA (0.46) | NPC1IDO1TDP1LMNAHTR3E | |
| SCHEMBL17913032 | 0.77 | ALDH1A1 (0.41) | ALDH1A1NPC1IDO1MAPTSLC22A2 | |
| SCHEMBL29111932 | 0.77 | ALDH1A1 (0.76) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL19260913 | 0.77 | GAA (0.42) | ALDH1A1IDO1TDP1LMNAMAPT | |
| SCHEMBL713037 | 0.76 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9ATDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |
| WO-2018035291-A1 | 1,2,4-TRIAZOLIDINE-3-THIONE DERIVATIVES AND USES THEREOF | NORTH CAROLINA STATE UNIVERSITY (US) | 2018-02-22 | — | — | WO | disclosed |
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | disclosed |