Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.50 |
| ▸ | PGK2 | P07205 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674807 | 0.83 | PGK1 (0.53) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL4542167 | 0.82 | PGK1 (0.74) | PGK1PGK2ALDH1A1HPGDFAAH | |
| SCHEMBL30669248 | 0.75 | PGK1 (0.41) | PGK1PGK2HPGDMBOAT4CHRNB2 | |
| SCHEMBL13640312 | 0.75 | PGK1 (0.41) | PGK1PGK2HPGDMBOAT4CHRNB2 | |
| SCHEMBL26972709 | 0.74 | PGK1 (0.40) | PGK1PGK2HPGDMBOAT4CHRNB2 | |
| SCHEMBL3510117 | 0.73 | PGK1 (0.42) | PGK1PGK2ALDH1A1HPGDMBOAT4 | |
| SCHEMBL906702 | 0.72 | — | — | |
| Naphthalene SCHEMBL31315623 | 0.69 | CETP (0.41) | ALDH1A1 | |
| SCHEMBL2485221 | 0.69 | KCNH2 (0.50) | ALDH1A1HPGDMBOAT4PARP1KDM1A | |
| SCHEMBL6564804 | 0.68 | NPSR1 (0.43) | PGK1PGK2ALDH1A1HPGDMBOAT4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8367706-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20100256097-A1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | 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-20100256097-A1 | INHIBITORS OF JANUS KINASES | JAK2, JAK3, JAK1 | PGK1 232/4885PGK2 227/4885ALDH1A1 3244/4885 |
“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.