Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20325786 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL3992142 | 0.79 | KIF11 (0.54) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL16147100 | 0.76 | ABL1 (0.47) | NPC1RAB9AMAOBTP53SMN1; SMN2 | |
| SCHEMBL13211691 | 0.74 | ESR2 (0.56) | ALDH1A1ESR2CA12CA1CA2 | |
| SCHEMBL6450429 | 0.74 | PTGDR2 (0.51) | ESR2CA1CA2NPC1RAB9A | |
| SCHEMBL16147603 | 0.74 | NPSR1 (0.44) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL9151672 | 0.73 | CA1 (0.79) | ALDH1A1ESR2CA12CA1CA2 | |
| SCHEMBL6733562 | 0.73 | CA1 (0.79) | ALDH1A1ESR2CA12CA1CA2 | |
| SCHEMBL197522 | 0.73 | CA1 (0.79) | ALDH1A1ESR2CA12CA1CA2 | |
| SCHEMBL7931650 | 0.73 | HSD11B1 (0.49) | ALDH1A1CYP2A6CA12CA1CA2 |
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-6852751-B2 | Difluorobutyric acid metalloprotease inhibitors | THE PROCTER & GAMBLE COMPANY (US) | 2005-02-08 | — | — | US | disclosed |
| US-20030139453-A1 | Difluorobutyric acid metalloprotease inhibitors | THE PROCTER & GAMBLE COMPANY | 2003-07-24 | — | — | US | disclosed |
| EP-1265865-A2 | DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001070693-A2 | DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2001-09-27 | — | — | WO | 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-20030139453-A1 | Difluorobutyric acid metalloprotease inhibitors | DPEP1, TMPRSS15, FAP | ALDH1A1 251/4885CYP2A6 605/4885ESR2 1279/4885 |
“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.