Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2821530 | 0.81 | ESR1 (0.45) | ESR1ESR2CA2CALM1TMEM97 | |
| SCHEMBL14799778 | 0.80 | ESR1 (0.54) | ESR1ESR2CA2CALM1TMEM97 | |
| SCHEMBL29183627 | 0.80 | ESR1 (0.48) | ESR1ESR2CA2CALM1TMEM97 | |
| SCHEMBL9138780 | 0.79 | TRPA1 (0.36) | ALDH1A1 | |
| SCHEMBL29183695 | 0.79 | ESR1 (0.46) | ESR1ESR2CA2CALM1TMEM97 | |
| SCHEMBL9911294 | 0.78 | SMN1; SMN2 (0.44) | CA2ALDH1A1TAAR1CA1CA9 | |
| SCHEMBL10615622 | 0.77 | THRB (0.35) | HSD17B10KMT2ANPC1MAPTRAB9A | |
| SCHEMBL303516 | 0.76 | ESR1 (0.59) | ESR1ESR2CA2CALM1TMEM97 | |
| SCHEMBL10596180 | 0.75 | — | — | |
| SCHEMBL8389404 | 0.75 | ESR1 (0.65) | ESR1ESR2CA2CALM1TMEM97 |
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-20140315834-A1 | COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF | MEDICON PHARMACEUTICALS, INC. (US) | 2014-10-23 | — | — | US | disclosed |
| WO-2013130625-A1 | PHOSPHO-ESTER DERIVATIVES AND USES THEREOF | RIGAS BASIL (US) | 2013-09-06 | — | — | WO | disclosed |
| US-20130225529-A1 | PHOSPHO-ESTER DERIVATIVES AND USES THEREOF | MEDICON PHARMACEUTICALS, INC. | 2013-08-29 | — | — | 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-20130225529-A1 | PHOSPHO-ESTER DERIVATIVES AND USES THEREOF | PHOSPHO1, PIK3CA, PYGB | ESR1 964/4885ESR2 510/4885CA2 3291/4885 |
| US-20140315834-A1 | COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF | HMGB1, PTGES, FDPS | ESR1 607/4885ESR2 1271/4885CA2 1224/4885 |
“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.