Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 15/20 | 0.40 |
| ▸ | CTSL | P07711 | 14/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30630653 | 0.83 | L3MBTL1 (0.41) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL7131013 | 0.83 | L3MBTL1 (0.41) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL31446302 | 0.83 | AKR1C3 (0.41) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL31759402 | 0.82 | SPR (0.42) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL20241630 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL14974107 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1CTSSCTSL | |
| SCHEMBL15572355 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1CTSSCTSL | |
| SCHEMBL15571680 | 0.78 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1CTSSAPP | |
| SCHEMBL31446101 | 0.77 | AKR1C3 (0.39) | AKR1C3AKR1C2AKR1C1APPCYP3A4 | |
| SCHEMBL31759482 | 0.74 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1C1APPCYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180251431-A1 | 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS | VERTEX PHARMACEUTICALS INCORPORATED | 2018-09-06 | — | — | US | disclosed |
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| US-9409882-B2 | Pyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-08-09 | — | — | US | disclosed |
| EP-2782903-B1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | HOFFMANN LA ROCHE (CH) | 2016-04-06 | — | — | EP | disclosed |
| US-20150307472-A1 | NOVEL PYRIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-10-29 | — | — | US | disclosed |
| EP-2888244-A1 | NOVEL PYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| EP-2782903-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| CN-103946213-A | Novel pyrrolidine derivatives as inhibitors of cathepsin | HOFFMANN LA ROCHE | 2014-07-23 | — | — | CN | disclosed |
| US-8729061-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| WO-2014029722-A1 | NOVEL PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-27 | — | — | WO | disclosed |
| US-20130137687-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-30 | — | — | US | disclosed |
| WO-2013076063-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-30 | — | — | 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 (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-20180251431-A1 | 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS | HSD17B4, CPT1A, ADH1A | AKR1C3 16/4885AKR1C2 22/4885AKR1C1 19/4885 |
| US-20130137687-A1 | NOVEL PYRROLIDINE DERIVATIVES | PYCR1, PRMT7, PRLHR | AKR1C3 1116/4885AKR1C2 1197/4885AKR1C1 634/4885 |
| US-20150307472-A1 | NOVEL PYRIDINE DERIVATIVES | NDUFS6, ADORA1, COX6A1 | AKR1C3 293/4885AKR1C2 374/4885AKR1C1 254/4885 |
“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.