Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8058346 | 0.84 | AKR1C3 (0.57) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL16225275 | 0.82 | ALDH1A1 (0.50) | AKR1C3CES2CES1NPC1RAB9A | |
| SCHEMBL28952471 | 0.80 | MAPT (0.48) | AKR1C3CES2SRD5A2LMNAALDH1A1 | |
| SCHEMBL525212 | 0.80 | AKR1C1 (0.53) | AKR1C3CES2CES1ALDH1A1 | |
| SCHEMBL8958858 | 0.78 | AKR1C3 (0.52) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL8958863 | 0.78 | AKR1C3 (0.52) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL10584486 | 0.76 | CES2 (0.50) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL2884812 | 0.76 | CA1 (0.53) | AKR1C3CES2CES1CYP1B1MAOB | |
| SCHEMBL28550534 | 0.72 | AKR1C3 (0.68) | AKR1C3CES2CES1SRD5A2CYP1A1 | |
| SCHEMBL13988751 | 0.72 | TRPV1 (0.68) | NR4A1NR4A2NR4A3TRPV1NPC1 |
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-20100121069-A1 | METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND | MSD K.K. (JP) | 2010-05-13 | — | — | 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-20100121069-A1 | METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND | BMP6, GPR6, ACSL6 | AKR1C3 2525/4885NR4A1 419/4885NR4A2 501/4885 |
“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.