Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 8/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.53 |
| ▸ | GYS1 | P13807 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL288849 | 1.00 | P2RX7 (0.58) | P2RX7TP53MDM2GYS1CYP1A2 | |
| SCHEMBL1612852 | 1.00 | P2RX7 (0.58) | P2RX7TP53MDM2GYS1CYP1A2 | |
| SCHEMBL30061816 | 1.00 | P2RX7 (0.58) | P2RX7TP53MDM2GYS1CYP1A2 | |
| SCHEMBL28021326 | 0.91 | P2RX7 (0.57) | P2RX7TP53MDM2CYP1A2CYP3A4 | |
| SCHEMBL19974972 | 0.90 | P2RX7 (0.56) | P2RX7TP53MDM2CYP1A2CYP3A4 | |
| SCHEMBL16328230 | 0.88 | P2RX7 (0.60) | P2RX7TP53MDM2CYP1A2CYP3A4 | |
| SCHEMBL288651 | 0.87 | P2RX7 (0.56) | P2RX7GYS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL289574 | 0.87 | P2RX7 (0.56) | P2RX7GYS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL288652 | 0.87 | P2RX7 (0.56) | P2RX7GYS1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10377790 | 0.86 | P2RX7 (0.60) | P2RX7TP53MDM2CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366704-B1 | Inhibitors of serine proteases | VERTEX PHARMA (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |