Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14490257 | 0.82 | CYP2A6 (0.43) | CYP2A6CYP3A4CYP2E1MAPK14ALDH1A1 | |
| SCHEMBL8266914 | 0.80 | F2 (0.42) | CYP2A6CYP3A4CYP2E1ELANEMAPK14 | |
| SCHEMBL14525383 | 0.79 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2E1ELANEMAPK14 | |
| SCHEMBL27253970 | 0.78 | ELANE (0.43) | CYP2A6CYP3A4CYP2E1ELANEPTGS2 | |
| SCHEMBL1044182 | 0.77 | ELANE (0.45) | CYP2A6CYP3A4CYP2E1ELANEALDH1A1 | |
| SCHEMBL14525390 | 0.76 | CYP3A4 (0.38) | CYP2A6CYP3A4CYP2E1MAPK14F10 | |
| SCHEMBL8285971 | 0.75 | ELANE (0.46) | CYP2A6CYP3A4CYP2E1ELANEPTGS2 | |
| SCHEMBL29683214 | 0.74 | BCHE (0.43) | CYP2A6CYP3A4CYP2E1MAPK14ALDH1A1 | |
| SCHEMBL77918 | 0.73 | MAPT (0.48) | MAPK14ALDH1A1HTTCYP19A1F10 | |
| SCHEMBL27250688 | 0.72 | KDM4E (0.56) | CYP2A6CYP2E1ELANEMAPK14PTGS2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-14 | — | — | US | disclosed |
| US-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-14 | — | — | US | disclosed |
| US-20070129361-A1 | LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-07 | — | — | US | disclosed |
| US-20070129361-A1 | LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | QIAO JENNIFER X | 2007-06-07 | — | — | US | disclosed |
| US-7205318-B2 | Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205318-B2 | Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-17 | — | — | US | disclosed |
| US-7199149-B2 | Monocyclic and bicyclic lactams as factor Xa inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| WO-2004031145-A2 | LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-15 | — | — | WO | 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 (2 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-20070135428-A1 | LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | F12, F2, PEPD | CYP2A6 2113/4885CYP3A4 1311/4885CYP2E1 4078/4885 |
| US-20070129361-A1 | LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | PEPD, XPNPEP1, METAP1 | CYP2A6 2139/4885CYP3A4 2461/4885CYP2E1 3195/4885 |
“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.