Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 5/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | USP8 | P40818 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28254037 | 0.84 | AR (0.39) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL17027553 | 0.81 | CYP3A4 (0.42) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL11878247 | 0.81 | HTR3E (0.44) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL13073880 | 0.76 | TRPV4 (0.34) | KDM4EALDH1A1HPGDFFAR1AR | |
| SCHEMBL12990596 | 0.76 | KDM4E (0.47) | KDM4EALDH1A1HPGDGAAMCL1 | |
| SCHEMBL1003862 | 0.73 | ALDH1A1 (0.46) | KDM4EALDH1A1CYP2A6FFAR1AR | |
| SCHEMBL11855115 | 0.73 | NPC1 (0.42) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL14191688 | 0.73 | CYP3A4 (0.49) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL3031435 | 0.72 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDGAACYP2A6 | |
| SCHEMBL22159520 | 0.72 | KDM4E (0.30) | KDM4E |
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-20120142692-A1 | ANTIFOLATE COMBINATIONS | CHELSEA THERAPEUTICS, INC. | 2012-06-07 | — | — | US | disclosed |
| US-20090253719-A1 | CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF | CHELSEA THERAPEUTICS, INC. | 2009-10-08 | — | — | US | disclosed |
| US-7396952-B2 | Process for preparing carbamic ester derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2008-07-08 | — | — | 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-20120142692-A1 | ANTIFOLATE COMBINATIONS | DHFR, MTX1, MTHFD1 | KDM4E 1152/4885ALDH1A1 316/4885HPGD 1121/4885 |
| US-20090253719-A1 | CRYSTALLINE SALT FORMS OF ANTIFOLATE COMPOUNDS AND METHODS OF MANUFACTURING THEREOF | SLC7A1, SLC10A1, SLC10A6 | KDM4E 2180/4885ALDH1A1 1572/4885HPGD 1841/4885 |
“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.