Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL8237166 | 0.87 | CXCR4 (0.56) | CXCR4SIGMAR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL15338728 | 0.87 | CXCR4 (0.53) | CXCR4SIGMAR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL12401142 | 0.83 | CXCR4 (0.53) | CXCR4SIGMAR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL6747206 | 0.81 | CXCR4 (0.65) | CXCR4 | |
| Hydrochloric Acid SCHEMBL9537230 | 0.80 | BCHE (0.63) | CXCR4 | |
| SCHEMBL7659440 | 0.79 | ALDH1A1 (0.61) | SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL19084133 | 0.78 | CYP2A13 (0.56) | CXCR4SIGMAR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL5743274 | 0.77 | SIGMAR1 (0.59) | SIGMAR1KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL28551278 | 0.77 | CYP2A13 (0.54) | CXCR4SIGMAR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL10989980 | 0.75 | KMT2A (0.62) | SIGMAR1KDM4EALDH1A1CYP2A13TSHR |
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 4 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 |