Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11639779 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL105975 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL713023 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| P-Xylene SCHEMBL11767119 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL6083273 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL8476153 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL11539924 | 0.78 | TAAR1 (0.50) | TAAR1IDO1L3MBTL1 | |
| SCHEMBL432651 | 0.78 | TAAR1 (0.50) | CYP1A2TAAR1IDO1KCNH2IGF1R | |
| SCHEMBL1611960 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1GPR52IDO1 | |
| SCHEMBL364888 | 0.78 | CYP2A6 (0.50) | CYP1A2CYP2A6TAAR1GPR52IDO1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3607002-A1 | COLORANT MIXTURES | Huntsman Advanced Materials (Switzerland) GmbH (CH) | 2020-02-12 | — | — | EP | disclosed |
| WO-2018184770-A1 | COLORANT MIXTURES | HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) | 2018-10-11 | — | — | WO | disclosed |
| CN-1119337-C | Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides | BAYER AG (DE) | 2003-08-27 | — | — | CN | disclosed |
| CN-1239957-A | Substituting 2-amino-4-alkylamino-1,3,5-triazine as herbicide | BAYER AG (DE) | 1999-12-29 | — | — | CN | disclosed |
| CN-1239955-A | Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides | BAYER AG (DE) | 1999-12-29 | — | — | CN | disclosed |
| WO-1998043649-A2 | AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-08 | — | — | WO | disclosed |