Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 10/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 1/20 | 0.34 |
| ▸ | ARG2 | P78540 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24614071 | 1.00 | CACNA1I (0.40) | CACNA1IKCNH2CACNA1GCHRM2HRH1 | |
| SCHEMBL23919061 | 0.88 | CACNA1I (0.44) | CACNA1IKCNH2GNAO1DPP4 | |
| SCHEMBL21235240 | 0.86 | CACNA1I (0.39) | CACNA1IKCNH2CACNA1GCHRM2HRH1 | |
| SCHEMBL26225543 | 0.84 | DRD2 (0.38) | GNAO1 | |
| SCHEMBL18389272 | 0.84 | CACNA1I (0.35) | CACNA1IKCNH2CACNA1GCHRM2HRH1 | |
| SCHEMBL14233907 | 0.83 | GNAO1 (0.41) | CACNA1IKCNH2CACNA1GCHRM2HRH1 | |
| SCHEMBL24702323 | 0.82 | NCF1 (0.33) | CARM1PRMT6 | |
| SCHEMBL14234033 | 0.81 | GNAO1 (0.45) | KCNH2GNAO1 | |
| SCHEMBL22702510 | 0.80 | ARG1 (0.32) | ARG1ARG2 | |
| SCHEMBL22507849 | 0.80 | CACNA1I (0.34) | CACNA1IKCNH2CACNA1GCHRM2HRH1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220220102-A1 | D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2022-07-14 | — | — | US | disclosed |
| US-9745313-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-29 | — | — | US | disclosed |
| 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-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 |
| US-20120309960-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MEYERS SQUIBB COMPANY | 2012-12-06 | — | — | 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 (5 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-20220220102-A1 | D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF | DRD3, ADRB3, VDR | CACNA1I 1674/4885KCNH2 1327/4885CACNA1G 1414/4885 |
| US-20140343276-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | CACNA1I 2424/4885KCNH2 2142/4885CACNA1G 3758/4885 |
| US-20150266894-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | CACNA1I 2424/4885KCNH2 2142/4885CACNA1G 3758/4885 |
| US-20160362414-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | CACNA1I 2424/4885KCNH2 2142/4885CACNA1G 3758/4885 |
| US-20120309960-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | CACNA1I 2424/4885KCNH2 2142/4885CACNA1G 3758/4885 |
“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.