Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MET | P08581 | 3/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | IDH2 | P48735 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL18328179 | 0.87 | TDO2 (0.41) | KDM4ECYP46A1KLKB1NOTUMIDH1 | |
| SCHEMBL17661864 | 0.85 | NOTUM (0.36) | CYP46A1NOTUM | |
| SCHEMBL17661875 | 0.83 | NOTUM (0.30) | NOTUM | |
| SCHEMBL17661857 | 0.82 | GRM5 (0.34) | MET | |
| SCHEMBL20176158 | 0.81 | EGLN1 (0.47) | — | |
| SCHEMBL17661877 | 0.81 | PTGS2 (0.32) | — | |
| SCHEMBL18330392 | 0.80 | KCNH2 (0.35) | KCNH2SMN1; SMN2KDM4ECYP46A1P2RX7 | |
| SCHEMBL17661847 | 0.77 | NOTUM (0.40) | F2KLKB1NOTUM | |
| SCHEMBL20181208 | 0.77 | P2RX7 (0.35) | KCNH2SMN1; SMN2KDM4EMETCYP46A1 | |
| SCHEMBL17661845 | 0.77 | CYP3A4 (0.39) | KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287288-B2 | Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | BRISTOL-MYERS SQUIBB (US) | 2019-05-14 | — | — | US | disclosed |
| US-20180215755-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2018-08-02 | — | — | US | disclosed |
| US-20180162821-A1 | FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS | BRISTOL-MYERS SQUIBB COMPANY | 2018-06-14 | — | — | US | disclosed |
| US-20180141932-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-24 | — | — | 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 | KCNH2 1610/4885INPPL1 4704/4885SMN1; SMN2 4135/4885 |
| US-20180215755-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | TFPI, TFPI2, F11 | KCNH2 1338/4885INPPL1 2272/4885SMN1; SMN2 4513/4885 |
| US-20180162821-A1 | FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS | F11, F12, TFPI | KCNH2 2434/4885INPPL1 3474/4885SMN1; SMN2 3435/4885 |
| US-10287288-B2 | Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | TFPI, TFPI2, F11 | KCNH2 1338/4885INPPL1 2272/4885SMN1; SMN2 4513/4885 |
“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.