Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.55 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.46 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5517082 | 0.89 | HTR2C (0.64) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL5517077 | 0.89 | HTR2C (0.64) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL10053573 | 0.89 | HTR2C (0.64) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL1188627 | 0.84 | HTR2C (0.56) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL1188628 | 0.84 | HTR2C (0.56) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL1188626 | 0.84 | HTR2C (0.56) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL13895353 | 0.81 | PDK1 (0.59) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL13895357 | 0.81 | PDK1 (0.59) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL13888953 | 0.81 | PDK1 (0.56) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL23196743 | 0.78 | POLB (0.56) | PDK1PDK2PDK3PDK4HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090105264-A1 | Substituted Nicotinamide Compounds | MERCK SHARP & DOHME CORP. | 2009-04-23 | — | — | 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-20090105264-A1 | Substituted Nicotinamide Compounds | SIRT1, NQO1, TXNRD2 | PDK1 1002/4885PDK2 1764/4885PDK3 1645/4885 |
“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.