Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15409988 | 0.87 | KDM4E (0.37) | KDM4EALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL14449087 | 0.86 | HDAC3 (0.37) | HRH3CYP1A2CYP2D6KDM4EL3MBTL1 | |
| SCHEMBL14945527 | 0.82 | ESR1 (0.34) | KDM4EALDH1A1TLR8TLR7 | |
| SCHEMBL16560329 | 0.80 | CCR1 (0.40) | KDM4EALDH1A1HDAC6CYP3A4RAB9A | |
| SCHEMBL15410730 | 0.78 | S1PR1 (0.34) | KDM4EALDH1A1PPARGHDAC3HDAC1 | |
| SCHEMBL17832058 | 0.76 | NOS3 (0.46) | CYP1A2KDM4EALDH1A1HDAC3HDAC1 | |
| SCHEMBL15290260 | 0.75 | HDAC3 (0.46) | L3MBTL1ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL13878887 | 0.75 | HTR2C (0.37) | KDM4EALDH1A1 | |
| SCHEMBL22122693 | 0.75 | KDM4E (0.36) | KDM4EALDH1A1TLR8TLR7 | |
| SCHEMBL15856196 | 0.75 | GBA1 (0.38) | KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160168205-A1 | METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-06-16 | — | — | US | disclosed |
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| US-9212381-B2 | Methods and compositions for labeling polypeptides | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-12-15 | — | — | US | disclosed |
| US-20130122535-A1 | METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-05-16 | — | — | US | disclosed |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 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 (2 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-20160168205-A1 | METHODS AND COMPOSITIONS FOR LABELING POLYPEPTIDES | NPEPPS, PSMG3, PSMA6 | HRH3 4609/4885CYP1A2 4776/4885CYP2D6 4692/4885 |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | NRDC, LUC7L2, NR0B1 | HRH3 360/4885CYP1A2 1461/4885CYP2D6 674/4885 |
“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.