Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12374175 | 0.83 | KCNH2 (0.36) | PSMB5KCNH2HRH3ACMSDHDAC1 | |
| SCHEMBL12374151 | 0.83 | PSMB5 (0.34) | PSMB5KCNH2HRH3ACMSDHDAC1 | |
| SCHEMBL12373867 | 0.81 | PSMB5 (0.40) | PSMB5KCNH2HRH3ACMSDHDAC1 | |
| SCHEMBL2278717 | 0.78 | HTR2C (0.45) | — | |
| SCHEMBL12374090 | 0.77 | PSMB5 (0.38) | PSMB5KCNH2HRH3ACMSDPTGS2 | |
| SCHEMBL18121693 | 0.77 | NPSR1 (0.34) | HDAC1HDAC6TDP1 | |
| SCHEMBL11996733 | 0.75 | LRRK2 (0.38) | KCNH2HDAC1HDAC6TDP1NPC1 | |
| SCHEMBL2279055 | 0.73 | NR1H2 (0.45) | HDAC1HDAC6ATMNPC1RAB9A | |
| SCHEMBL21083871 | 0.73 | ALDH1A1 (0.42) | KCNH2HRH3TDP1NPC1RAB9A | |
| SCHEMBL8830140 | 0.73 | HDAC1 (0.49) | HDAC1HDAC6NPC1RAB9AALDH1A1 |
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-8716483-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-06 | — | — | US | disclosed |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | 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-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAPK10 | PSMB5 3724/4885KCNH2 3421/4885HRH3 3160/4885 |
“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.