Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL1609873 | 0.78 | — | — | |
| SCHEMBL3047788 | 0.78 | ALDH1A1 (0.34) | TSHR | |
| SCHEMBL1609914 | 0.75 | — | — | |
| SCHEMBL900695 | 0.73 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL5250986 | 0.73 | NQO1 (0.38) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL3456090 | 0.70 | NOS2 (0.43) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL358550 | 0.69 | GABRA1 (0.36) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL10752183 | 0.69 | CYP1A2 (0.32) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL395903 | 0.69 | POLB (0.35) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL21865896 | 0.69 | PON1 (0.36) | CYP1A2CYP2A6TSHRTDP2NSD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |