Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2842820 | 0.99 | TP53 (0.40) | TP53MAPK1CASP1CASP7KDM4E | |
| Hydrochloric Acid SCHEMBL2835228 | 0.89 | TP53 (0.37) | TP53MAPK1CASP1CASP7KDM4E | |
| SCHEMBL2835759 | 0.87 | MEN1 (0.37) | MEN1KMT2ARAB9ATSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL2841025 | 0.86 | MEN1 (0.37) | MEN1KMT2ARAB9ATSHRL3MBTL1 | |
| SCHEMBL2837938 | 0.85 | PKM (0.33) | PKML3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL2872179 | 0.84 | PKM (0.32) | PKML3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL2841936 | 0.82 | SSTR1 (0.38) | KDM4EMEN1ALDH1A1PKMKMT2A | |
| SCHEMBL2836674 | 0.81 | DDB1 (0.38) | KDM4EL3MBTL1LMNA | |
| Cadaverine Tartrate SCHEMBL2836879 | 0.80 | MEN1 (0.36) | KDM4EMEN1ALDH1A1KMT2ARAB9A | |
| Cadaverine Tartrate SCHEMBL2836884 | 0.80 | MEN1 (0.36) | KDM4EMEN1ALDH1A1KMT2ARAB9A |
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-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | 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-20100048537-A1 | HETEROARYL DERIVATIVES | OPRD1, OPRM1, OPRK1 | TP53 4847/4885MAPK1 1495/4885CASP1 3591/4885 |
“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.