Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ERN1 | O75460 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10094443 | 0.85 | KCNA5 (0.51) | CYP3A4ERN1FYNPDK2 | |
| SCHEMBL10094453 | 0.82 | PTGS1 (0.48) | FYNROCK2CHEK2 | |
| SCHEMBL10094454 | 0.80 | ROCK2 (0.46) | ALDH1A1TSHRROCK2CHEK2HPGD | |
| SCHEMBL10094417 | 0.79 | ROCK2 (0.39) | ROCK2HSP90AA1HSP90AB1 | |
| SCHEMBL22259507 | 0.79 | ERN1 (0.50) | CYP1A2CYP3A4ALDH1A1CLK4TSHR | |
| SCHEMBL22259609 | 0.76 | BCL2L1 (0.57) | CYP1A2CYP3A4ALDH1A1CLK4TSHR | |
| SCHEMBL19766510 | 0.75 | HSP90AA1 (0.43) | ALDH1A1ERN1HPGDSMN1; SMN2PDK2 | |
| SCHEMBL10094455 | 0.75 | NPC1 (0.51) | HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10094399 | 0.75 | ACHE (0.43) | NPSR1LMNAHPGDKDM4EMEN1 | |
| SCHEMBL10094401 | 0.74 | SMN1; SMN2 (0.50) | CYP3A4ALDH1A1TSHRNPSR1ROCK2 |
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-8148535-B2 | Potassium channel inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-04-03 | — | — | US | disclosed |
| US-20090233897-A1 | Potassium Channel Inhibitors | MERCK SHARP & DOHME CORP. | 2009-09-17 | — | — | 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-20090233897-A1 | Potassium Channel Inhibitors | KCNJ2, KCNQ2, KCNH2 | CYP1A2 2371/4885CYP3A4 1526/4885ALDH1A1 2989/4885 |
“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.