Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 2/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 2/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 3/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | F3 | P13726 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.57 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.57 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.57 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL16766953 | 1.00 | RELA (0.61) | RELABCHECYP3A4NFKB1NFKB2 | |
| SCHEMBL145712 | 0.89 | F3 (0.72) | RELABCHECYP3A4NFKB1NFKB2 | |
| SCHEMBL145711 | 0.89 | F3 (0.72) | RELABCHECYP3A4NFKB1NFKB2 | |
| 4-Methoxycinnamic Acid SCHEMBL29009724 | 0.88 | THRB (0.81) | RELABCHECYP3A4NFKB1NFKB2 | |
| SCHEMBL2720436 | 0.80 | MAPT (0.62) | CYP3A4MAOBMAOAMAPTALDH1A1 | |
| SCHEMBL2720441 | 0.80 | MAPT (0.62) | CYP3A4MAOBMAOAMAPTALDH1A1 | |
| Ethyl Acetate SCHEMBL16774556 | 0.79 | L3MBTL1 (0.56) | THRBATMMAOBMAOAF3 | |
| SCHEMBL5599042 | 0.79 | F3 (0.86) | RELABCHECYP3A4NFKB1NFKB2 | |
| SCHEMBL5599044 | 0.79 | F3 (0.86) | RELABCHECYP3A4NFKB1NFKB2 | |
| SCHEMBL11999799 | 0.79 | F3 (0.86) | RELABCHECYP3A4NFKB1NFKB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150158820-A1 | CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME | DAICEL CORPORATION (JP) | 2015-06-11 | — | — | 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-20150158820-A1 | CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME | FFAR1, FFAR2, FFAR3 | RELA 633/4885BCHE 2692/4885CYP3A4 956/4885 |
“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.