Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL1233939 | 1.00 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL9087122 | 0.95 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL7951960 | 0.90 | ALDH1A1 (0.78) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL28152944 | 0.87 | ALDH1A1 (0.74) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL27618232 | 0.87 | ALDH1A1 (0.74) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL28763610 | 0.87 | ALDH1A1 (0.82) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL28343522 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL27520612 | 0.85 | ALDH1A1 (0.70) | ALDH1A1TSHRTRPA1CES2CES1 | |
| Benzyl Bromide SCHEMBL1331189 | 0.84 | — | — | |
| Benzyl Bromide SCHEMBL5757393 | 0.84 | TSHR (1.00) | ALDH1A1TSHRTRPA1CES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115153-B2 | Aza metal complexes | CANON KABUSHIKI KAISHA (JP) | 2015-08-25 | — | — | US | disclosed |
| US-20140275521-A1 | Aza metal complexes | CANON KABUSHIKI KAISHA (JP) | 2014-09-18 | — | — | US | disclosed |
| US-8772475-B2 | AZA compounds and production method thereof, and metal complexes as MRI contrast agents | CANON KABUSHIKI KAISHA (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20110028713-A1 | AZA COMPOUNDS AND PRODUCTION METHOD THEREOF, AND METAL COMPLEXES AS MRI CONTRAST AGENTS | KYOTO UNIVERSITY (JP) | 2011-02-03 | — | — | 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-20140275521-A1 | Aza metal complexes | DNMT1, HDAC10, AZI2 | ALDH1A1 3364/4885TSHR 1884/4885TRPA1 4125/4885 |
| US-20110028713-A1 | AZA COMPOUNDS AND PRODUCTION METHOD THEREOF, AND METAL COMPLEXES AS MRI CONTRAST AGENTS | DNMT1, AZI2, HDAC10 | ALDH1A1 2979/4885TSHR 1688/4885TRPA1 3888/4885 |
“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.