Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615349 | 1.00 | ALDH1A1 (0.43) | ALDH1A1KDM4ECNR2CYP3A4CYP2D6 | |
| SCHEMBL13197998 | 0.91 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP2D6LMNAHPGD | |
| SCHEMBL9212520 | 0.85 | EPHX1 (0.47) | ALDH1A1KDM4ECNR2CYP2D6TDP1 | |
| SCHEMBL24871094 | 0.82 | CNR2 (0.41) | ALDH1A1KDM4ECNR2HTT | |
| SCHEMBL29131279 | 0.82 | CNR2 (0.41) | ALDH1A1KDM4ECNR2HTT | |
| SCHEMBL17429838 | 0.82 | HDAC4 (0.43) | CNR2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL17429840 | 0.79 | STAT3 (0.39) | ALDH1A1CNR2TDP1LMNASMN1; SMN2 | |
| SCHEMBL17429855 | 0.78 | ALDH1A1 (0.41) | ALDH1A1NPC1HTTNPSR1SMN1; SMN2 | |
| SCHEMBL19664525 | 0.78 | HDAC3 (0.41) | ALDH1A1KDM4ECNR2EPHX1 | |
| SCHEMBL9217358 | 0.78 | HDAC3 (0.41) | ALDH1A1KDM4ECNR2EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2012-04-19 | — | — | 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-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | FLI1, CDC73, FOS | ALDH1A1 2452/4885KDM4E 2391/4885CNR2 4091/4885 |
“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.