Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL984677 | 0.99 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL984632 | 0.79 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL984746 | 0.78 | SLC6A2 (0.98) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL984326 | 0.71 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2362402 | 0.66 | CYP2A6 (0.34) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL7961240 | 0.59 | SLC6A3 (0.54) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL1426726 | 0.59 | SLC6A4 (0.40) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL9431320 | 0.58 | CYP2A6 (0.46) | SLC6A2SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL20457222 | 0.58 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6970883 | 0.57 | SLC6A4 (0.84) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | claimed |
| 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 |
| 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 | SLC6A2 6/4885SLC6A4 8/4885SLC6A3 1/4885 |
“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.