Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL523040 | 0.92 | KCNH2 (0.55) | KCNH2MEN1KMT2ANOS1NOS3 | |
| SCHEMBL20109276 | 0.84 | KCNH2 (0.47) | KCNH2MEN1KMT2ANOS1NOS3 | |
| SCHEMBL21485103 | 0.82 | KCNH2 (0.76) | KCNH2NOS1NOS2CXCR4NPSR1 | |
| SCHEMBL21879600 | 0.80 | KCNH2 (0.73) | KCNH2NOS1NOS2CXCR4NPSR1 | |
| SCHEMBL12445671 | 0.80 | KCNH2 (0.73) | KCNH2NOS1NOS2CXCR4NPSR1 | |
| Lithium SCHEMBL30464084 | 0.80 | KCNH2 (0.73) | KCNH2NOS1NOS2CXCR4NPSR1 | |
| SCHEMBL10141770 | 0.79 | KCNH2 (0.84) | KCNH2L3MBTL1TDP1 | |
| SCHEMBL21899739 | 0.77 | KCNH2 (0.88) | KCNH2 | |
| SCHEMBL45869 | 0.77 | KCNH2 (0.52) | KCNH2NOS1NOS2CXCR4NPSR1 | |
| SCHEMBL7333040 | 0.76 | CXCR4 (0.52) | KCNH2HRH3CXCR4NPSR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160362414-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-12-15 | — | — | US | disclosed |
| US-9453029-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-27 | — | — | US | disclosed |
| US-20150266894-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-09-24 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 2142/4885MEN1 376/4885KMT2A 1111/4885 |
| US-20150266894-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | KCNH2 2142/4885MEN1 376/4885KMT2A 1111/4885 |
| US-20160362414-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | KCNH2 2142/4885MEN1 376/4885KMT2A 1111/4885 |
“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.