Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | GMNN | O75496 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | PIM1 | P11309 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.67 |
| ▸ | CCKBR | P32239 | 1/20 | 0.67 |
| ▸ | MC4R | P32245 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Leflunomide SCHEMBL1243495 | 0.80 | RAB9A (1.00) | DHODHRAB9ANPC1HTTGMNN | |
| Leflunomide SCHEMBL5057 | 0.80 | RAB9A (1.00) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL7459817 | 0.78 | DHODH (0.76) | DHODHRAB9ANPC1HTTGMNN | |
| Leflunomide SCHEMBL29271960 | 0.77 | RAB9A (0.92) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL11320933 | 0.77 | DHODH (0.67) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL9114519 | 0.75 | DHODH (0.64) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL11428900 | 0.75 | RAB9A (0.88) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL8484731 | 0.75 | DHODH (0.71) | DHODHRAB9ANPC1HTTGMNN | |
| SCHEMBL8812525 | 0.74 | RAB9A (0.86) | DHODHRAB9ANPC1HTTGMNN | |
| Leflunomide SCHEMBL18584841 | 0.73 | RAB9A (0.84) | DHODHRAB9ANPC1HTTGMNN |
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-1996033179-A1 | THIOAMIDES DERIVATES AND THEIR USE AS INHIBITORS OF HYPER-PROLIFERATIVE CELL GROWTH | SUGEN, INC. (US) | 1996-10-24 | — | — | WO | disclosed |