Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL160448 | 0.79 | GABRA1 (0.35) | GABRA1GABRB2 | |
| SCHEMBL446044 | 0.76 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL6964625 | 0.76 | GABRA1 (0.38) | TSHRGABRA1GABRB2 | |
| SCHEMBL942581 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRGABRA1GABRB2CYP1A2 | |
| SCHEMBL940455 | 0.74 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL11741534 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRGABRA1GABRB2CYP1A2 | |
| SCHEMBL940373 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRGABRA1GABRB2CYP1A2 | |
| SCHEMBL80318 | 0.72 | GABRA1 (0.59) | CYP3A4TSHRGABRA1GABRB2CYP1A2 | |
| SCHEMBL28560711 | 0.72 | VCAM1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL943421 | 0.71 | GABRA1 (0.31) | GABRA1GABRB2 |
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-0812310-A1 | NOVEL DI- AND POLYAMINO COMPOUNDS FOR USE IN THE PREPARATION OF POLYURETHANE MATERIALS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-12-17 | — | — | EP | claimed |
| WO-1996026915-A1 | NOVEL DI- AND POLYAMINO COMPOUNDS FOR USE IN THE PREPARATION OF POLYURETHANE MATERIALS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-09-06 | — | — | WO | claimed |