Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL137678 | 0.92 | TSHR (0.45) | TSHRALDH1A1TAAR1AKR1B1SMN1; SMN2 | |
| SCHEMBL5294145 | 0.86 | TAAR1 (0.52) | TSHRTAAR1AKR1B1SMN1; SMN2TBXAS1 | |
| SCHEMBL19866382 | 0.84 | TSHR (0.48) | TSHRALDH1A1TAAR1AKR1B1SMN1; SMN2 | |
| SCHEMBL28929217 | 0.84 | CA2 (0.38) | ALDH1A1SMN1; SMN2CNR1CNR2CA2 | |
| SCHEMBL30695756 | 0.84 | BID (0.47) | ALDH1A1SMN1; SMN2TBXAS1CFTRLMNA | |
| SCHEMBL27967827 | 0.84 | BID (0.47) | ALDH1A1SMN1; SMN2TBXAS1CFTRLMNA | |
| SCHEMBL14158501 | 0.84 | BID (0.47) | ALDH1A1SMN1; SMN2TBXAS1CFTRLMNA | |
| SCHEMBL15995365 | 0.84 | BID (0.47) | ALDH1A1SMN1; SMN2TBXAS1CFTRLMNA | |
| SCHEMBL14158807 | 0.81 | CFTR (0.48) | TSHRALDH1A1SMN1; SMN2CFTRMAPT | |
| SCHEMBL1926900 | 0.80 | TAAR1 (0.54) | TSHRTAAR1AKR1B1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995031425-A1 | NOVEL CO-ORDINATED METAL/BORON COMPOUNDS AS BIOCIDES, THEIR METHODS OF SYNTHESIS, THEIR USE AND THEIR FORMULATION | MAYNARD NIGEL PAUL (NZ) | 1995-11-23 | — | — | WO | disclosed |