Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27463034 | 0.81 | TAAR1 (0.57) | TAAR1IDO1AGXTCYP1A2CYP2D6 | |
| SCHEMBL8043067 | 0.79 | TAAR1 (0.55) | TAAR1IDO1 | |
| SCHEMBL29979925 | 0.78 | TAAR1 (0.63) | TAAR1IDO1AGXTCYP1A2CYP2D6 | |
| SCHEMBL1513555 | 0.78 | TAAR1 (0.63) | TAAR1IDO1AGXTCYP1A2CYP2D6 | |
| SCHEMBL27427316 | 0.78 | TAAR1 (0.53) | TAAR1IDO1AGXT | |
| SCHEMBL27720368 | 0.78 | DRD2 (0.53) | TAAR1 | |
| SCHEMBL27427311 | 0.78 | TAAR1 (0.53) | TAAR1IDO1AGXTSIGMAR1 | |
| SCHEMBL4399626 | 0.77 | TAAR1 (0.74) | TAAR1IDO1AGXTMAOBSIGMAR1 | |
| SCHEMBL3455819 | 0.77 | TAAR1 (0.57) | TAAR1IDO1AGXTMAOBSIGMAR1 | |
| SCHEMBL419919 | 0.77 | TAAR1 (0.57) | TAAR1IDO1AGXTMAOBSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1110486-C | Substituted 2-amino-4-alkylamino-1, 3, 5-triazines as herbicides | BAYER AG (DE) | 2003-06-04 | — | — | CN | disclosed |
| CN-1239956-A | Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides | BAYER AG (DE) | 1999-12-29 | — | — | CN | disclosed |