Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL29274338 | 0.84 | TAAR1 (0.50) | CYP2A6TAAR1SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL1083206 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL692019 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL9428100 | 0.80 | TAAR1 (0.58) | CYP1A2CYP2A6TAAR1IDO1HRH3 | |
| SCHEMBL9150371 | 0.80 | TAAR1 (0.47) | TAAR1IDO1KCNH2ALDH1A1HRH1 | |
| SCHEMBL9152724 | 0.80 | ESR1 (0.54) | TAAR1IGF1RALOX15TDP1ACHE | |
| SCHEMBL27454262 | 0.80 | TAAR1 (0.47) | CYP1A2CYP2A6TAAR1IDO1GPR52 | |
| SCHEMBL27427314 | 0.80 | TAAR1 (0.47) | TAAR1IDO1L3MBTL1 | |
| SCHEMBL2536149 | 0.79 | TP53 (0.46) | CYP2A6TAAR1KCNH2GPR52ALOX15 | |
| SCHEMBL9154468 | 0.77 | TAAR1 (0.53) | TAAR1IDO1HRH3ALOX15SMN1; 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 |