Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.31 |
| ▸ | RXRA | P19793 | 4/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19412874 | 0.85 | SLC34A1 (0.37) | KLKB1HTR1ADRD2HTR7HTR6 | |
| SCHEMBL19412858 | 0.82 | GRM5 (0.34) | P2RX7 | |
| SCHEMBL19412830 | 0.81 | MELK (0.32) | P2RX7 | |
| SCHEMBL20444063 | 0.81 | ALKBH1 (0.45) | — | |
| SCHEMBL18330392 | 0.80 | KCNH2 (0.35) | P2RX7KCNH2SMN1; SMN2KDM4EKLKB1 | |
| SCHEMBL19412876 | 0.77 | NOTUM (0.39) | KLKB1RXRAGRIN1GRIN2BF2 | |
| SCHEMBL20176147 | 0.77 | KCNH2 (0.33) | P2RX7METKCNH2SMN1; SMN2KDM4E | |
| SCHEMBL20181455 | 0.77 | CYP1A2 (0.39) | KDM4EHTR1ADRD2HTR7HTR6 | |
| SCHEMBL19412843 | 0.75 | NOTUM (0.53) | RXRAGRIN1GRIN2B | |
| SCHEMBL19412829 | 0.73 | NOTUM (0.54) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10676477-B2 | Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-06-09 | — | — | US | disclosed |
| US-20190144393-A1 | FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS | BRISTOL MYERS SQUIBB CO (US) | 2019-05-16 | — | — | US | disclosed |
| US-10287288-B2 | Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | BRISTOL-MYERS SQUIBB (US) | 2019-05-14 | — | — | US | disclosed |
| US-20180141932-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-24 | — | — | 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-20180141932-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | P2RX7 3049/4885MET 3696/4885KCNH2 1610/4885 |
| US-20190144393-A1 | FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS | F11, F12, TFPI | P2RX7 2273/4885MET 3264/4885KCNH2 2434/4885 |
| US-10676477-B2 | Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group | TFPI, TFPI2, F2 | P2RX7 137/4885MET 3979/4885KCNH2 1684/4885 |
| US-10287288-B2 | Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | TFPI, TFPI2, F11 | P2RX7 630/4885MET 4380/4885KCNH2 1338/4885 |
“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.