Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL3298586 | 0.84 | IDO1 (0.64) | SLC6A2SLC6A4SLC6A3IDO1CYP3A4 | |
| SCHEMBL1176609 | 0.79 | ALDH1A1 (0.45) | CYP3A4ALDH1A1HTTTSHRMAPK1 | |
| SCHEMBL3300581 | 0.78 | TSHR (0.58) | SLC6A2SLC6A4SLC6A3IDO1CYP3A4 | |
| SCHEMBL542609 | 0.78 | IDO1 (0.44) | SLC6A2SLC6A4SLC6A3IDO1TAAR1 | |
| SCHEMBL11587862 | 0.77 | ESR1 (0.61) | SLC6A2SLC6A4SLC6A3IDO1CYP3A4 | |
| SCHEMBL320687 | 0.76 | CALM1 (0.44) | CYP3A4ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL3022914 | 0.73 | PNMT (0.50) | IDO1CYP3A4PNMTTAAR1SIGMAR1 | |
| SCHEMBL696583 | 0.73 | IDO1 (0.52) | IDO1ALDH1A1SIGMAR1 | |
| SCHEMBL694407 | 0.73 | CYP1A2 (0.46) | IDO1CYP3A4PNMTTAAR1ALDH1A1 | |
| SCHEMBL951833 | 0.73 | FFAR1 (0.55) | SLC6A2SLC6A4SLC6A3IDO1CYP3A4 |
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-1999011633-A1 | TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-11 | — | — | WO | claimed |