Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL21384392 | 0.90 | CYP2D6 (0.48) | CYP2D6CYP1A2MMP2HPGDALDH1A1 | |
| SCHEMBL751833 | 0.90 | CYP2D6 (0.48) | CYP2D6CYP1A2MMP2HPGDALDH1A1 | |
| SCHEMBL15472724 | 0.85 | CYP2D6 (0.45) | CYP2D6 | |
| SCHEMBL26984856 | 0.83 | CYP2D6 (0.57) | CYP2D6CYP1A2MMP2CYP3A4CYP2C19 | |
| SCHEMBL27138376 | 0.82 | STAT3 (0.37) | CYP2D6MMP2ALDH1A1STAT3 | |
| SCHEMBL21987575 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP1A2HPGDALDH1A1NPSR1 | |
| SCHEMBL17960644 | 0.82 | CYP2D6 (0.44) | CYP2D6CYP1A2MMP2HPGDALDH1A1 | |
| SCHEMBL30003332 | 0.81 | CYP2D6 (0.42) | CYP2D6MMP2ALDH1A1NPSR1PKM | |
| SCHEMBL196226 | 0.80 | CYP2D6 (0.67) | CYP2D6CYP1A2HPGDALDH1A1NPSR1 | |
| SCHEMBL22915091 | 0.78 | CYP2D6 (0.46) | CYP2D6CYP1A2ALDH1A1NPSR1 |
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-11981680-B2 | Substituted thienopyrroles as PAD4 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-05-14 | — | — | US | disclosed |
| CN-114929342-A | Pyrazolyl derivatives as anticancer agents | 诺华股份有限公司 | 2022-08-19 | — | — | CN | disclosed |
| WO-2021124222-A1 | PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS | NOVARTIS AG (CH) | 2021-06-24 | — | — | WO | disclosed |
| EP-3833671-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | 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-11981680-B2 | Substituted thienopyrroles as PAD4 inhibitors | PADI4, PADI1, PADI6 | CYP2D6 1116/4885CYP1A2 651/4885MMP2 2542/4885 |
“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.