Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20164163 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRPOLBCYP3A4 | |
| SCHEMBL21442832 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTCTSLCTSB | |
| SCHEMBL20181221 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTCTSLCTSB | |
| SCHEMBL1694362 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2TSHRPOLBCYP3A4 | |
| SCHEMBL20592102 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2TSHRPOLBCYP3A4 | |
| SCHEMBL20164184 | 0.81 | KDM4E (0.37) | ALDH1A1POLBCYP2C19MEN1KMT2A | |
| SCHEMBL20164187 | 0.81 | KDM4E (0.37) | ALDH1A1POLBCYP2C19MEN1KMT2A | |
| SCHEMBL28615073 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP1A2TSHRPOLBCYP3A4 | |
| SCHEMBL28615074 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP1A2TSHRPOLBCYP3A4 | |
| SCHEMBL20164169 | 0.78 | MEN1 (0.47) | ALDH1A1POLBCYP3A4CYP2C19LMNA |
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 3 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-10160750-B2 | Diamide macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-12-25 | — | — | 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 (2 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 | ALDH1A1 4091/4885CYP1A2 1319/4885TSHR 2418/4885 |
| US-10160750-B2 | Diamide macrocycles as factor XIa inhibitors | TFPI, TFPI2, F11 | ALDH1A1 4091/4885CYP1A2 1319/4885TSHR 2418/4885 |
“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.