Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4977780 | 1.00 | ESR1 (0.42) | ESR1ESR2ALDH1A1MAPTCYP2A6 | |
| SCHEMBL23237307 | 1.00 | ESR1 (0.42) | ESR1ESR2ALDH1A1MAPTCYP2A6 | |
| SCHEMBL18704051 | 0.83 | ESR1 (0.38) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8764025 | 0.80 | ESR1 (0.50) | ESR1ESR2ALDH1A1MAPTCYP2A6 | |
| SCHEMBL24681202 | 0.79 | ESR1 (0.38) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL23237367 | 0.79 | AOC3 (0.47) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL23209157 | 0.79 | AOC3 (0.47) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL18704243 | 0.79 | AOC3 (0.47) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2547851 | 0.79 | IGF1R (0.38) | ESR1ESR2ALOX5MEN1KMT2A | |
| SCHEMBL7933326 | 0.79 | AOC3 (0.47) | ESR1ESR2ALDH1A1LMNASMN1; SMN2 |
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-7355061-B2 | Method of manufacturing cyano compounds | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2008-04-08 | — | — | US | disclosed |
| US-20050004388-A1 | Method of manufacturing cyano compounds | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-01-06 | — | — | 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-20050004388-A1 | Method of manufacturing cyano compounds | HBB, IDH1, NOX3 | ESR1 4460/4885ESR2 4507/4885ALDH1A1 2830/4885 |
“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.