Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | ROCK2 | O75116 | 13/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 11/20 | 0.52 |
| ▸ | CCR2 | P41597 | 6/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 3/20 | 0.43 |
| ▸ | PRKACA | P17612 | 3/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | CHUK | O15111 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24152966 | 0.84 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL984260 | 0.82 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL23647459 | 0.82 | ROCK2 (0.56) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL12456894 | 0.82 | ROCK2 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL983713 | 0.78 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3RAF1 | |
| SCHEMBL984635 | 0.78 | CYP2D6 (0.62) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL5404960 | 0.77 | ROCK2 (0.67) | ROCK2ROCK1CCR2KMT2ACDC7 | |
| SCHEMBL983580 | 0.77 | SLC6A2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL26633621 | 0.77 | ROCK2 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL982050 | 0.76 | SLC6A2 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257545-B1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| EP-2257545-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | 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-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | SLC6A3, MAOB, TPH2 | CYP2D6 97/4885SLC6A2 6/4885SLC6A4 8/4885 |
“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.