Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 9/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 9/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3039175 | 0.87 | ROCK2 (0.47) | ROCK2ROCK1KMT2ANPC1RAB9A | |
| SCHEMBL3040156 | 0.85 | IMPDH2 (0.54) | ROCK2ROCK1KMT2ANPC1RAB9A | |
| SCHEMBL3049695 | 0.82 | IMPDH2 (0.52) | ROCK2ROCK1KMT2ANPC1RAB9A | |
| SCHEMBL3046619 | 0.81 | IMPDH2 (0.51) | ROCK2ROCK1NPC1RAB9AHTT | |
| SCHEMBL3046878 | 0.80 | ROCK2 (0.56) | ROCK2ROCK1KMT2ANPC1RAB9A | |
| SCHEMBL3836791 | 0.79 | IMPDH2 (0.49) | ROCK2ROCK1NPC1RAB9AALDH1A1 | |
| SCHEMBL14083727 | 0.79 | ROCK2 (0.60) | ROCK2ROCK1KMT2AALDH1A1LMNA | |
| SCHEMBL19074825 | 0.78 | NPC1 (0.74) | KMT2ANPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL3835811 | 0.77 | POLB (0.56) | ROCK2KMT2ANPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL9639136 | 0.77 | NPC1 (0.72) | KMT2ANPC1RAB9AMEN1ALDH1A1 |
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 1831/4885KMT2A 320/4885 |
“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.