Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11495477 | 0.89 | NOS3 (0.37) | NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL8480125 | 0.68 | NPC1 (0.35) | NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL11641776 | 0.67 | NOS1 (0.41) | HCAR2NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL11533490 | 0.63 | OAT (0.33) | — | |
| SCHEMBL3664077 | 0.63 | ADORA3 (0.34) | ALDH1A1 | |
| SCHEMBL29131699 | 0.61 | HCAR2 (0.34) | HCAR2 | |
| SCHEMBL9812716 | 0.61 | FFAR3 (0.36) | HCAR2NOS3NOS1NOS2 | |
| SCHEMBL105194 | 0.61 | — | — | |
| SCHEMBL2690837 | 0.60 | — | — | |
| Propane SCHEMBL1984331 | 0.60 | FFAR3 (0.40) | HCAR2ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551812-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| US-7192949-B2 | Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors | MERCK & CO., INC. (US) | 2007-03-20 | — | — | US | disclosed |
| US-20060189630-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-08-24 | — | — | US | disclosed |
| EP-1551812-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-04 | — | — | EP | disclosed |
| EP-1551812-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20050107404-A1 | Mitotic kinesin inhibitors | FRALEY MARK E (US) | 2005-05-19 | — | — | US | disclosed |
| WO-2003049678-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | 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 (2 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-20060189630-A1 | Mitotic kinesin inhibitors | KIF5B, KIF18B, KIF18A | HCAR2 4517/4885NOS3 4644/4885NOS1 4687/4885 |
| US-20050107404-A1 | Mitotic kinesin inhibitors | KIF5B, KIF18B, KIF18A | HCAR2 4517/4885NOS3 4644/4885NOS1 4687/4885 |
“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.