Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 18/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 17/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL981123 | 0.92 | KMT2A (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL985195 | 0.89 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984260 | 0.77 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984635 | 0.76 | CYP2D6 (0.62) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL982050 | 0.75 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982202 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982203 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982204 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL983580 | 0.72 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL980405 | 0.72 | SLC6A2 (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |