Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7251998 | 0.88 | TDP1 (0.39) | TDP1 | |
| SCHEMBL7247759 | 0.82 | EPHX2 (0.32) | CYP3A4 | |
| SCHEMBL7254651 | 0.79 | — | — | |
| SCHEMBL7252390 | 0.78 | DNM1 (0.37) | CYP3A4DNM1ALDH1A1LPAR1LPAR3 | |
| SCHEMBL19770356 | 0.76 | TDP1 (0.39) | TDP1CYP3A4DNM1ALDH1A1LPAR1 | |
| SCHEMBL16990769 | 0.75 | CYP3A4 (0.33) | TDP1CYP3A4DNM1ALDH1A1ADRB2 | |
| SCHEMBL11128784 | 0.74 | USP2 (0.35) | CYP3A4ALDH1A1LPAR1LPAR3 | |
| SCHEMBL80455 | 0.74 | TDP1 (0.52) | TDP1CYP3A4LPAR1LPAR3ADRB2 | |
| SCHEMBL7254371 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL27625694 | 0.74 | TDP1 (0.38) | TDP1CYP3A4DNM1ALDH1A1LPAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |
| EP-1157012-A1 | 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050409-A1 | 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-31 | — | — | WO | disclosed |