Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 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 | |
|---|---|---|---|---|
| SCHEMBL8557692 | 0.96 | C3AR1 (0.36) | C3AR1TPSAB1CYP1A2CYP2D6PKM | |
| SCHEMBL8174677 | 0.92 | TPSAB1 (0.39) | TPSAB1CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL8169663 | 0.77 | LMNA (0.37) | C3AR1CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL9128947 | 0.74 | NPY4R (0.44) | C3AR1 | |
| SCHEMBL6003373 | 0.73 | POLB (0.42) | SMN1; SMN2ALDH1A1CNR2 | |
| SCHEMBL3928059 | 0.72 | SLC7A5 (0.40) | SMN1; SMN2ALDH1A1PRSS1CNR2HTR2A | |
| SCHEMBL9030495 | 0.72 | F2 (0.53) | TPSAB1F10PRSS1PLAU | |
| SCHEMBL8558893 | 0.71 | ALOX15 (0.35) | CYP1A2SMN1; SMN2 | |
| SCHEMBL6723179 | 0.71 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1PRSS1CNR2HTR2A | |
| SCHEMBL6716961 | 0.71 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1PRSS1CNR2HTR2A |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |