Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 13/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL4707570 | 0.91 | GPBAR1 (0.37) | USP2CYP3A4MEN1KMT2AGPBAR1 | |
| SCHEMBL4705935 | 0.89 | AVPR2 (0.34) | USP2CYP3A4MEN1KMT2AGPBAR1 | |
| SCHEMBL4637902 | 0.88 | ALDH1A1 (0.40) | CYP3A4TSHR | |
| SCHEMBL4639496 | 0.88 | CFTR (0.32) | USP2CYP3A4GPBAR1AVPR2AVPR1A | |
| SCHEMBL4707379 | 0.86 | GPBAR1 (0.34) | GPBAR1AVPR2AVPR1A | |
| SCHEMBL4707053 | 0.86 | GPBAR1 (0.34) | USP2CYP3A4MEN1KMT2AGPBAR1 | |
| SCHEMBL4638486 | 0.83 | GPBAR1 (0.34) | P2RX7GPBAR1AVPR2AVPR1A | |
| SCHEMBL4639432 | 0.83 | AVPR2 (0.34) | MEN1KMT2AGPBAR1AVPR2AVPR1A | |
| SCHEMBL4639427 | 0.81 | EPAS1 (0.38) | USP2CYP3A4MEN1KMT2AGPBAR1 | |
| SCHEMBL4637743 | 0.81 | IDH1 (0.35) | GPBAR1IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |