Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL5409758 | 1.00 | AKR1C3 (0.46) | AKR1C3AKR1C1PKMALDH1A1KDM4E | |
| SCHEMBL5405402 | 0.90 | PKM (0.46) | AKR1C3AKR1C1PKMALDH1A1KDM4E | |
| SCHEMBL5405396 | 0.90 | PKM (0.46) | AKR1C3AKR1C1PKMALDH1A1KDM4E | |
| SCHEMBL5406245 | 0.84 | AKR1C3 (0.48) | AKR1C3AKR1C1PKMALDH1A1TSHR | |
| SCHEMBL5406250 | 0.84 | AKR1C3 (0.48) | AKR1C3AKR1C1PKMALDH1A1TSHR | |
| SCHEMBL5406593 | 0.80 | AKR1C3 (0.43) | AKR1C3AKR1C1ALDH1A1KDM4EEIF2AK3 | |
| SCHEMBL5415494 | 0.79 | ALDH1A1 (0.45) | AKR1C3AKR1C1PKMALDH1A1KDM4E | |
| SCHEMBL5405265 | 0.76 | AKR1C3 (0.52) | AKR1C3AKR1C1PKMALDH1A1MCOLN3 | |
| SCHEMBL5405260 | 0.76 | AKR1C3 (0.52) | AKR1C3AKR1C1PKMALDH1A1MCOLN3 | |
| SCHEMBL5412857 | 0.76 | MMP1 (0.43) | AKR1C3AKR1C1ALDH1A1KDM4ELMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | AEBI JOHANNES (CH) | 2004-12-02 | — | — | US | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030199569-A1 | Pyrrolidine derivatives | AEBI JOHANNES (CH) | 2003-10-23 | — | — | US | disclosed |
| US-20020040146-A1 | Pyrrolidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2002-04-04 | — | — | 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 (3 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-20030199569-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | AKR1C3 1905/4885AKR1C1 1813/4885PKM 1617/4885 |
| US-20020040146-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | AKR1C3 1905/4885AKR1C1 1813/4885PKM 1617/4885 |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | MMP1, PEPD, MMP25 | AKR1C3 3462/4885AKR1C1 2693/4885PKM 1733/4885 |
“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.