Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | 0.82 | TAAR1 (0.50) | TAAR1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL27425537 | 0.80 | CYP1A2 (0.48) | TAAR1GPR52IDO1ALDH1A1CYP1A2 | |
| SCHEMBL15992983 | 0.79 | LMNA (0.47) | TAAR1HTR2APOLBCTDSP1KDM4E | |
| SCHEMBL27427314 | 0.78 | TAAR1 (0.47) | TAAR1IDO1L3MBTL1 | |
| SCHEMBL9150371 | 0.78 | TAAR1 (0.47) | TAAR1HTR2APOLBCTDSP1IDO1 | |
| SCHEMBL9152724 | 0.78 | ESR1 (0.54) | TAAR1KDM4EALDH1A1CYP2C19L3MBTL1 | |
| SCHEMBL27464296 | 0.77 | TAAR1 (0.50) | TAAR1HTR2AGPR52POLBCTDSP1 | |
| SCHEMBL28697416 | 0.77 | TAAR1 (0.40) | TAAR1HTR2APYCR1IDO1KDM4E | |
| SCHEMBL2536149 | 0.77 | TP53 (0.46) | TAAR1HTR2AGPR52ALDH1A1SMN1; SMN2 | |
| SCHEMBL27539823 | 0.76 | TAAR1 (0.53) | TAAR1PYCR1IDO1CYP1A2CYP2D6 |
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 |