Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | 0.85 | CXCR4 (0.56) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL2445773 | 0.83 | CXCR4 (0.54) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL15338728 | 0.82 | CXCR4 (0.53) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL12401074 | 0.82 | ACHE (0.60) | CXCR4ACHE | |
| SCHEMBL19084133 | 0.77 | CYP2A13 (0.56) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL19083687 | 0.74 | ACHE (0.61) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL28551278 | 0.73 | CYP2A13 (0.54) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL16978124 | 0.72 | EPHX1 (0.48) | SMN1; SMN2 | |
| SCHEMBL6944902 | 0.70 | CYP2A13 (0.59) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 | |
| SCHEMBL19075616 | 0.70 | CYP2A13 (0.54) | CXCR4KDM4EPOLBTSHRSMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575208-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-8440706-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-14 | — | — | US | disclosed |
| US-8372873-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-12 | — | — | US | disclosed |
| US-20110182856-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-28 | — | — | US | disclosed |
| US-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-07 | — | — | US | disclosed |
| US-7964624-B1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-21 | — | — | US | disclosed |
| US-20100272681-A1 | Inhibitors of Serine Proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-28 | — | — | US | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | PRSS1, PRSS3, PRSS2 | CXCR4 3814/4885KDM4E 2603/4885POLB 3945/4885 |
| US-20070179167-A1 | Inhibitors of serine proteases | PRSS1, PRSS3, PRSS2 | CXCR4 3814/4885KDM4E 2603/4885POLB 3945/4885 |
| US-20100272681-A1 | Inhibitors of Serine Proteases | SERPINB1, PRSS1, SPINT2 | CXCR4 2147/4885KDM4E 1721/4885POLB 2644/4885 |
| US-20110182856-A1 | INHIBITORS OF SERINE PROTEASES | PRSS1, SPINT2, PRSS2 | CXCR4 3634/4885KDM4E 1669/4885POLB 4161/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.