Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CHKA | P35790 | 2/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12380568 | 0.91 | CHKA (0.56) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| SCHEMBL16198781 | 0.81 | CHKA (0.54) | NPC1RAB9AALDH1A1KDM4EKMT2A | |
| SCHEMBL4712397 | 0.79 | CHKA (0.55) | NPC1RAB9AALDH1A1KDM4ETSHR | |
| SCHEMBL14117410 | 0.78 | XDH (0.43) | MAPK1HSD17B10ALDH1A1KDM4EKMT2A | |
| SCHEMBL7141409 | 0.76 | KCNJ1 (0.37) | ALDH1A1KDM4EKMT2AKCNJ1KCNH2 | |
| SCHEMBL1231574 | 0.76 | TSHR (0.57) | ALDH1A1KMT2ATSHRSMN1; SMN2MAPT | |
| SCHEMBL15963244 | 0.75 | SIGMAR1 (0.55) | KCNH2 | |
| SCHEMBL19602186 | 0.75 | KCNJ1 (0.39) | RAB9AMAPK1ALDH1A1KDM4EKMT2A | |
| SCHEMBL16953199 | 0.75 | AR (0.46) | MAPK1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL15716165 | 0.74 | XDH (0.41) | ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410098-B2 | N-{1-[3-(2-ethoxy-5-(4-ethylpiperazinyl)sulfonylphenyl)-4,5-dihydro-5-OXO-1,2,4-triazin-6-yl]ethyl}butyramide, the preparation method and use thereof | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2013-04-02 | — | — | US | disclosed |
| US-20110190495-A1 | N-BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2011-08-04 | — | — | 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-20110190495-A1 | N-BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF | CYP3A5, PDE3A, PDE5A | NPC1 2383/4885RAB9A 1037/4885MAPK1 3846/4885 |
“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.