Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GLS | O94925 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14868686 | 0.91 | TAAR1 (0.44) | TAAR1ADORA2ADRD2DRD3OPRM1 | |
| Hydrochloric Acid SCHEMBL8119135 | 0.90 | TAAR1 (0.43) | TAAR1ADORA2ADRD2DRD3OPRM1 | |
| SCHEMBL14868567 | 0.81 | GRM5 (0.40) | TAAR1ADORA2AHDAC6NPC1 | |
| SCHEMBL7838315 | 0.78 | L3MBTL1 (0.51) | TAAR1NPC1CYP2C9CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7846083 | 0.77 | L3MBTL1 (0.50) | TAAR1NPC1CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL19393733 | 0.77 | ESRRG (0.43) | TAAR1ADORA2ACYP2C19L3MBTL1 | |
| SCHEMBL19393735 | 0.76 | CYP1A2 (0.43) | TAAR1DRD2DRD3NPC1CYP1A2 | |
| SCHEMBL17198926 | 0.76 | NPC1 (0.46) | TAAR1NPC1RAB9A | |
| SCHEMBL8489715 | 0.76 | IDO1 (0.49) | TAAR1HDAC1HDAC6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL19371389 | 0.75 | NPC1 (0.44) | TAAR1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001005786-A2 | USE OF OPTICALLY ACTIVE THIENYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-25 | — | — | WO | disclosed |
| EP-1021441-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 2000-07-26 | — | — | EP | disclosed |
| WO-1999018100-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-04-15 | — | — | WO | disclosed |