Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12454185 | 0.80 | TSHR (0.36) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL13531056 | 0.78 | TSHR (0.35) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL7875449 | 0.78 | TSHR (0.35) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL8458912 | 0.78 | — | — | |
| SCHEMBL11578869 | 0.77 | TSHR (0.34) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL84437 | 0.73 | — | — | |
| SCHEMBL25742658 | 0.72 | TSHR (0.33) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL26624310 | 0.72 | SIGMAR1 (0.33) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL20803989 | 0.70 | SIGMAR1 (0.35) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL16556897 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1175256-A | tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-03-04 | — | — | CN | disclosed |