Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | MEF2D | Q14814 | 4/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4080656 | 0.85 | AAK1 (0.55) | AAK1MAPTTP53HDAC4MEF2D | |
| SCHEMBL26304207 | 0.84 | AAK1 (0.54) | AAK1MAPTTP53HDAC1CTSS | |
| SCHEMBL20181256 | 0.84 | AAK1 (0.43) | AAK1MAPTTP53HDAC4HDAC3 | |
| SCHEMBL7416493 | 0.83 | AAK1 (0.53) | AAK1MAPTTP53HDAC4MEF2D | |
| SCHEMBL7416488 | 0.83 | AAK1 (0.53) | AAK1MAPTTP53HDAC4MEF2D | |
| SCHEMBL20181242 | 0.82 | CTSS (0.47) | AAK1MAPTCTSSCTSKCTSL | |
| SCHEMBL21442814 | 0.82 | AAK1 (0.44) | AAK1MAPTTP53CTSSCTSK | |
| SCHEMBL21442831 | 0.82 | CTSS (0.47) | AAK1MAPTCTSSCTSKCTSL | |
| SCHEMBL20181312 | 0.82 | AAK1 (0.44) | AAK1MAPTTP53CTSSCTSK | |
| SCHEMBL20164175 | 0.82 | HDAC1 (0.46) | HDAC4MEF2DHDAC3HDAC1HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3310777-B1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-09 | — | — | EP | 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 (1 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 | AAK1 1091/4885MAPT 569/4885TP53 4590/4885 |
“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.