Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16384411 | 0.77 | MCL1 (0.42) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL18736128 | 0.76 | MCL1 (0.45) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL18117414 | 0.72 | EPHX1 (0.50) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL19883542 | 0.71 | — | — | |
| SCHEMBL17850652 | 0.71 | — | — | |
| SCHEMBL3719184 | 0.70 | MCL1 (0.40) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL17449779 | 0.69 | ADH1B (0.39) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL12686586 | 0.69 | — | — | |
| SCHEMBL1380471 | 0.69 | MCL1 (0.50) | MCL1CNR1MMP1MMP2MMP3 | |
| SCHEMBL20197728 | 0.68 | MCL1 (0.41) | MCL1CNR1MMP1MMP2MMP3 |
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-2714036-B1 | SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS | ACHILLION PHARMACEUTICALS INC (US) | 2016-06-22 | — | — | EP | disclosed |