Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7443082 | 0.94 | KCNH2 (0.42) | KCNH2KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL1020532 | 0.86 | KCNH2 (0.39) | KCNH2KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL2567286 | 0.86 | KCNH2 (0.59) | KCNH2ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL7498129 | 0.82 | ALDH1A1 (0.38) | KCNH2ALDH1A1HPGDFAAH | |
| SCHEMBL5907729 | 0.81 | KCNH2 (0.71) | KCNH2 | |
| SCHEMBL14835968 | 0.80 | KCNH2 (0.44) | KCNH2KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL25215533 | 0.79 | KCNH2 (0.75) | KCNH2 | |
| SCHEMBL12747702 | 0.79 | KCNH2 (0.48) | KCNH2KDM1AMAOAMAOBFAAH | |
| SCHEMBL12747764 | 0.79 | KCNH2 (0.75) | KCNH2 | |
| SCHEMBL12747694 | 0.79 | KCNH2 (0.48) | KCNH2KDM1AMAOAMAOBFAAH |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2480554-B1 | MACROCYCLIC INHIBITORS OF JAK | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| US-8318764-B2 | Macrocyclic inhibitors of JAK | ROCHE PALO ALTO LLC (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318764-B2 | Macrocyclic inhibitors of JAK | ROCHE PALO ALTO LLC (US) | 2012-11-27 | — | — | US | disclosed |
| WO-2011033053-A1 | MACROCYCLIC INHIBITORS OF JAK | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | disclosed |
| US-20110071179-A1 | MACROCYCLIC INHIBITORS OF JAK | JAHANGIR ALAM | 2011-03-24 | — | — | US | disclosed |
| US-20110071179-A1 | MACROCYCLIC INHIBITORS OF JAK | JAHANGIR ALAM | 2011-03-24 | — | — | US | disclosed |
| US-6028087-A | Platelet aggregation inhibiting compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0677043-A4 | — | — | 1995-11-22 | — | — | EP | disclosed |
| EP-0677043-A1 | PLATELET AGGREGATION INHIBITING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994014775-A1 | PLATELET AGGREGATION INHIBITING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | 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-20110071179-A1 | MACROCYCLIC INHIBITORS OF JAK | JAK2, JAK1, JAK3 | KCNH2 2447/4885KDM1A 776/4885MAOA 3193/4885 |
“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.