Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.73 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10141770 | 0.94 | KCNH2 (0.84) | KCNH2 | |
| SCHEMBL1404092 | 0.93 | KCNH2 (0.83) | KCNH2NOS2NOS1NPSR1GABRP | |
| SCHEMBL21899739 | 0.92 | KCNH2 (0.88) | KCNH2 | |
| SCHEMBL21485098 | 0.90 | KCNH2 (0.85) | KCNH2 | |
| SCHEMBL21485103 | 0.89 | KCNH2 (0.76) | KCNH2NOS2NOS1CXCR4NPSR1 | |
| SCHEMBL14234024 | 0.89 | KCNH2 (0.76) | KCNH2NOS2NOS1NPSR1GABRP | |
| SCHEMBL21879600 | 0.87 | KCNH2 (0.73) | KCNH2NOS2NOS1CXCR4NPSR1 | |
| Lithium SCHEMBL30464084 | 0.87 | KCNH2 (0.73) | KCNH2NOS2NOS1CXCR4NPSR1 | |
| SCHEMBL248521 | 0.86 | KCNH2 (0.95) | KCNH2 | |
| SCHEMBL7685870 | 0.86 | KCNH2 (0.59) | KCNH2NOS2NOS1CXCR4NPSR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9745313-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-29 | — | — | US | disclosed |
| US-20160362414-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-12-15 | — | — | US | disclosed |
| US-9079918-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140343276-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-20 | — | — | US | disclosed |
| US-8828983-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-09 | — | — | US | disclosed |
| CN-102648540-A | Electronic device comprising metal complex | MERCK PATENT GMBH | 2012-08-22 | — | — | CN | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | 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-20140343276-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | KCNH2 2142/4885NOS2 3312/4885NOS1 3314/4885 |
| US-20160362414-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | KCNH2 2142/4885NOS2 3312/4885NOS1 3314/4885 |
“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.