Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6140754 | 0.84 | TAAR1 (0.45) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL9428626 | 0.82 | TSHR (0.42) | BCHEACHETSHR | |
| SCHEMBL27456003 | 0.79 | HTR2A (0.50) | TAAR1IDO1MAOBALDH1A1KDM4E | |
| SCHEMBL27453414 | 0.78 | TRPA1 (0.46) | TAAR1IDO1ALDH1A1 | |
| SCHEMBL9069769 | 0.77 | TP53 (0.40) | TAAR1IDO1ALDH1A1KDM4ECYP2C9 | |
| SCHEMBL2093819 | 0.77 | TSHR (0.46) | ALDH1A1BCHEACHETSHR | |
| SCHEMBL27456000 | 0.75 | IDO1 (0.41) | TAAR1IDO1ALDH1A1ACHECYP1A2 | |
| SCHEMBL3168435 | 0.75 | TAAR1 (0.48) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL3984962 | 0.74 | CYP3A4 (0.43) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11571963 | 0.74 | CYP3A4 (0.35) | IDO1CYP3A4PYCR1CYP1A2CYP2D6 |
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 |