Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | ADH7 | P40394 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7252000 | 0.88 | TDP1 (0.39) | TDP1 | |
| SCHEMBL7247760 | 0.82 | ADH1B (0.32) | ADH1BADH1CADH1AADH7TSHR | |
| SCHEMBL27503694 | 0.82 | TDP1 (0.34) | TDP1DNM1 | |
| SCHEMBL7254653 | 0.79 | — | — | |
| SCHEMBL7252395 | 0.78 | DNM1 (0.37) | ADH1BADH1CADH1AADH7TSHR | |
| SCHEMBL19770356 | 0.76 | TDP1 (0.39) | TSHRTDP1CYP3A4DNM1ALDH1A1 | |
| SCHEMBL26911270 | 0.76 | TDP1 (0.34) | TDP1 | |
| SCHEMBL7820672 | 0.75 | TSHR (0.37) | ADH1BADH1CADH1AADH7TSHR | |
| SCHEMBL7254375 | 0.74 | ALDH1A1 (0.32) | ADH1BADH1CADH1ATSHRALDH1A1 | |
| SCHEMBL80455 | 0.74 | TDP1 (0.52) | TSHRTDP1CYP3A4HPGDLPAR1 |
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 1 patent. 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 |