Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 6/20 | 0.56 |
| ▸ | BCL2 | P10415 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 6/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.36 |
| ▸ | KDM4A | O75164 | 2/20 | 0.36 |
| ▸ | KDM4B | O94953 | 2/20 | 0.36 |
| ▸ | KDM5C | P41229 | 2/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.36 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.36 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15846201 | 0.90 | IP6K1 (0.48) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845892 | 0.82 | IP6K1 (0.62) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845735 | 0.82 | IP6K1 (0.70) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845715 | 0.79 | BCL2 (0.56) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15846755 | 0.79 | IP6K1 (0.63) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15846038 | 0.79 | IP6K1 (0.60) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845964 | 0.79 | IP6K1 (0.60) | IP6K1BCL2MCL1PARP1IP6K3 | |
| SCHEMBL15846641 | 0.79 | IP6K1 (0.53) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845636 | 0.79 | IP6K1 (0.56) | IP6K1BCL2MCL1PARP1AURKA | |
| SCHEMBL15845869 | 0.78 | IP6K1 (0.49) | IP6K1BCL2MCL1PARP1ACVR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2938600-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | claimed |
| US-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| US-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| EP-2938600-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| WO-2014102233-A1 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-03 | — | — | 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-20160002177-A1 | COMT INHIBITORS | COMT, PNMT, SLC6A3 | IP6K1 4247/4885BCL2 3842/4885MCL1 4336/4885 |
“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.