Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9729032 | 0.79 | GABRA1 (0.36) | GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL14551982 | 0.66 | GABRA1 (0.37) | GABRA1GABRB2ALDH1A1TSHRNPSR1 | |
| SCHEMBL18195991 | 0.65 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1TSHRCA2 | |
| SCHEMBL14481564 | 0.65 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1TSHRNPSR1 | |
| SCHEMBL14481900 | 0.65 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1TSHRNPSR1 | |
| SCHEMBL18307732 | 0.61 | GABRA1 (0.41) | GABRA1GABRB2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL18102118 | 0.60 | ALDH1A1 (0.32) | GABRA1GABRB2ALDH1A1CA2 | |
| SCHEMBL4451452 | 0.59 | GABRA1 (0.56) | GABRA1GABRB2ALDH1A1TSHRNPSR1 | |
| SCHEMBL3916579 | 0.59 | GABRA1 (0.50) | GABRA1GABRB2ALDH1A1TSHRATM | |
| SCHEMBL3167832 | 0.58 | GABRA1 (0.60) | GABRA1GABRB2ALDH1A1TSHRATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0406163-A1 | Thioxotetrazolines | CIBA-GEIGY AG (CH) | 1991-01-02 | — | — | EP | claimed |
| US-5138068-A | Pesticide | CIBA-GEIGY CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |
| US-5066667-A | Controlling insects and arachnids | CIBA-GEIGY CORPORATION (US) | 1991-11-19 | — | — | US | disclosed |
| EP-0406163-A1 | Thioxotetrazolines | CIBA-GEIGY AG (CH) | 1991-01-02 | — | — | EP | disclosed |