Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.51 |
| ▸ | NNMT | P40261 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27803933 | 0.82 | GABRP (0.46) | PARP1TDP1KDM4EKMT2AMEN1 | |
| SCHEMBL161323 | 0.79 | NNMT (0.61) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL14917429 | 0.78 | PARP1 (0.53) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| Hydrochloric Acid SCHEMBL2162841 | 0.78 | NNMT (0.59) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL5190356 | 0.76 | POLB (0.52) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL28141639 | 0.76 | PARP1 (0.51) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| Hydrochloric Acid SCHEMBL5013614 | 0.74 | PARP1 (0.50) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL5013567 | 0.73 | NNMT (0.54) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL29903108 | 0.73 | NNMT (0.54) | PARP1NNMTIKBKBLIMK1SIRT3 | |
| SCHEMBL27605540 | 0.72 | MEN1 (0.43) | KDM4EKMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103420977-B | There is the acetylene-derivative of anti-tumor activity | 上海医药集团股份有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-103420977-A | Acetylene derivative with anti-tumor activity | SHANGHAI PHARMACEUTICAL GROUP CO LTD | 2013-12-04 | — | — | CN | disclosed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20090291917-A1 | Boron-Containing Small Molecules as Anti-Inflammatory Agents | ANACOR PHARMACEUTICALS, INC. (US) | 2009-11-26 | — | — | 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-20090291917-A1 | Boron-Containing Small Molecules as Anti-Inflammatory Agents | NFKBIA, LITAF, CD68 | PARP1 1891/4885NNMT 944/4885IKBKB 13/4885 |
“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.