Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 20/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 18/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1692018 | 0.83 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL413913 | 0.81 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL414724 | 0.81 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL415042 | 0.81 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL15352944 | 0.80 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL30642182 | 0.80 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL15352942 | 0.80 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL16450973 | 0.79 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL415061 | 0.79 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL414862 | 0.79 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011524396-A | — | — | 2011-09-01 | — | — | JP | claimed |
| EP-2297096-A2 | ARYL KETONE AS MRI | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | claimed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | claimed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | claimed |
| EP-2297096-A2 | ARYL KETONE AS MRI | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | 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-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | TPH2, TPH1, ADRA2C | SLC6A2 71/4885SLC6A4 57/4885SLC6A3 44/4885 |
“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.