Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 7/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 7/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17661858 | 0.86 | IDH1 (0.43) | IDH1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL19412448 | 0.82 | F11 (0.37) | GABRA1GABRB1KCNH2F11KLKB1 | |
| SCHEMBL19412447 | 0.82 | KCNH2 (0.33) | GABRA1GABRB1KCNH2F11KLKB1 | |
| SCHEMBL17661899 | 0.81 | PDE3B (0.38) | KCNH2F11KLKB1IDH1HTT | |
| SCHEMBL17661862 | 0.81 | CNR1 (0.32) | GABRA1GABRB1KCNH2IDH1CNR1 | |
| SCHEMBL17661859 | 0.81 | P4HTM (0.36) | GABRA1GABRB1KCNH2IDH1 | |
| SCHEMBL20176168 | 0.80 | KDM4E (0.42) | PTGER1LMNA | |
| SCHEMBL18330391 | 0.79 | MAPK14 (0.40) | F11KLKB1LMNAPSEN1PSEN2 | |
| SCHEMBL20359777 | 0.76 | ALDH1A1 (0.35) | F11KLKB1LMNAHTTPSEN1 | |
| SCHEMBL30702162 | 0.76 | ALDH1A1 (0.35) | F11KLKB1LMNAHTTPSEN1 |
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-10676477-B2 | Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-06-09 | — | — | 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-20180215755-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2018-08-02 | — | — | 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 |
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-20180141932-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F11 | GABRA1 4037/4885GABRB1 4284/4885KCNH2 1610/4885 |
| US-20180215755-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | TFPI, TFPI2, F11 | GABRA1 3703/4885GABRB1 4047/4885KCNH2 1338/4885 |
| US-20180162821-A1 | FACTOR XIA MACROCYCLES WITH NOVEL P1 GROUPS | F11, F12, TFPI | GABRA1 3865/4885GABRB1 4533/4885KCNH2 2434/4885 |
| US-10676477-B2 | Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group | TFPI, TFPI2, F2 | GABRA1 4241/4885GABRB1 4473/4885KCNH2 1684/4885 |
| US-10287288-B2 | Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties | TFPI, TFPI2, F11 | GABRA1 3703/4885GABRB1 4047/4885KCNH2 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.