Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL10184970 | 1.00 | ESR1 (0.41) | ESR1ALDH1A1POLBTDP1KDM4E | |
| SCHEMBL10184969 | 0.87 | TSHR (0.42) | ALDH1A1POLBTDP1KDM4ETSHR | |
| SCHEMBL10148341 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBTDP1KDM4ETSHR | |
| SCHEMBL10148201 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBTDP1KDM4ETSHR | |
| SCHEMBL10148199 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBTDP1KDM4ETSHR | |
| SCHEMBL10148343 | 0.83 | ALDH1A1 (0.44) | ALDH1A1POLBTDP1KDM4ETSHR | |
| SCHEMBL3040308 | 0.83 | NR1H2 (0.44) | ALDH1A1TDP1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL10184844 | 0.79 | CA12 (0.47) | ESR1ALDH1A1POLBTDP1TSHR | |
| SCHEMBL10184995 | 0.79 | LMNA (0.46) | ESR1ALDH1A1POLBTSHRNPC1 | |
| SCHEMBL10186099 | 0.78 | TSHR (0.42) | ALDH1A1POLBTDP1KDM4EHSP90AA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046292-A1 | DIACYLETHYLENEDIAMINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2012-02-23 | — | — | US | disclosed |
| WO-2010122968-A1 | DIACYLETHYLENEDIAMINE COMPOUND | アステラス製薬株式会社 (JP) | 2010-10-28 | — | — | 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-20120046292-A1 | DIACYLETHYLENEDIAMINE COMPOUND | DGAT1, DGAT2, DIMT1 | ESR1 4281/4885ALDH1A1 963/4885POLB 3114/4885 |
“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.