Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAPDH | P04406 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4829759 | 0.81 | HSD17B1 (0.44) | FYNKIF11HSD17B1ENPP2MAP4K4 | |
| SCHEMBL6504454 | 0.80 | KDM4E (0.50) | FYNPTGS2KDM4EHSD17B10 | |
| SCHEMBL4829512 | 0.79 | TAAR1 (0.53) | PTGS2TAAR1 | |
| SCHEMBL5715742 | 0.77 | APP (0.56) | FYNKIF11ENPP2MAP4K4MINK1 | |
| SCHEMBL386673 | 0.76 | KIF11 (0.61) | KIF11HSD17B1ENPP2PTGS2KDM4E | |
| SCHEMBL10068013 | 0.74 | HSD17B1 (0.53) | FYNKIF11HSD17B1ENPP2MAP4K4 | |
| SCHEMBL904087 | 0.72 | ESR2 (0.56) | HSD17B1ENPP2PTGS2 | |
| SCHEMBL8604252 | 0.72 | PTGS2 (0.59) | KIF11PTGS2 | |
| SCHEMBL15674737 | 0.70 | ERN1 (0.61) | — | |
| SCHEMBL3991783 | 0.70 | MCL1 (0.65) | MEN1RECQLKMT2ATDP1THRB |
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-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | disclosed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | 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-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | BACE1 3477/4885FYN 624/4885KIF11 1340/4885 |
“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.