Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3046878 | 0.88 | ROCK2 (0.56) | ROCK2ROCK1IMPDH2SMPD1HDAC1 | |
| SCHEMBL3042553 | 0.85 | ROCK2 (0.48) | ROCK2ROCK1IMPDH2EGFRPPARG | |
| SCHEMBL3039175 | 0.85 | ROCK2 (0.47) | ROCK2ROCK1IMPDH2EGFRHDAC8 | |
| SCHEMBL3046859 | 0.84 | ROCK2 (0.48) | ROCK2ROCK1IMPDH2EGFRPPARG | |
| SCHEMBL3840595 | 0.81 | KDM4E (0.49) | ROCK2ROCK1IMPDH2PHGDHKDM4E | |
| SCHEMBL3048705 | 0.81 | GPR132 (0.51) | ROCK2ROCK1IMPDH2SMPD1ALDH1A1 | |
| SCHEMBL1629306 | 0.76 | EGFR (0.52) | EGFRKDM4EALDH1A1LMNA | |
| SCHEMBL3049695 | 0.76 | IMPDH2 (0.52) | ROCK2ROCK1IMPDH2PPARGKDM4E | |
| SCHEMBL2966044 | 0.75 | NOTUM (0.55) | EGFRNOTUMKDM4EALDH1A1LMNA | |
| SCHEMBL6155851 | 0.73 | KMT2A (0.46) | EGFRHDAC8ALDH1A1LMNA |
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-7745641-B2 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20090054407-A1 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-02-26 | — | — | US | disclosed |
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | 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-20090054407-A1 | Nitrogen-containing heterocyclic compound | NR4A1, NR5A2, PRMT8 | ROCK2 2207/4885ROCK1 1831/4885IMPDH2 3627/4885 |
“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.