Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | TYK2 | P29597 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7102448 | 0.79 | ROCK2 (0.47) | ROCK2ROCK1TDP1SIRT3CYP11B2 | |
| SCHEMBL30465597 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TDP1SIRT3CYP11B2 | |
| SCHEMBL7533 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TDP1SIRT3GAA | |
| SCHEMBL587010 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TDP1SIRT3CYP11B2 | |
| SCHEMBL15514423 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TDP1SIRT3CYP11B2 | |
| SCHEMBL29574646 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TDP1SIRT3GAA | |
| SCHEMBL13270674 | 0.77 | TDP1 (0.61) | ROCK2ROCK1TDP1SIRT3TYK2 | |
| SCHEMBL651312 | 0.76 | SIRT3 (0.60) | ROCK2ROCK1TDP1SIRT3GAA | |
| Hydrochloric Acid SCHEMBL1942270 | 0.76 | ROCK2 (0.56) | ROCK2ROCK1TDP1SIRT3GAA | |
| SCHEMBL1174534 | 0.76 | ROCK2 (0.61) | ROCK2ROCK1TDP1SIRT3CYP11B2 |
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 3 patents. 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 |
| EP-1945028-A2 | SUBSTITUTED NICOTINAMIDE COMPOUNDS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007055942-A2 | SUBSTITUTED NICOTINAMIDE COMPOUNDS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | 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-20090105264-A1 | Substituted Nicotinamide Compounds | SIRT1, NQO1, TXNRD2 | ROCK2 3401/4885ROCK1 2891/4885TDP1 1260/4885 |
“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.