Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226908 | 0.92 | KMT2A (0.36) | SLC6A2SLC6A4KMT2AL3MBTL1 | |
| SCHEMBL2013227 | 0.92 | CA12 (0.34) | KMT2AL3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL2012019 | 0.87 | KDM1A (0.39) | KMT2AL3MBTL1 | |
| SCHEMBL462003 | 0.83 | IDO1 (0.36) | KMT2AL3MBTL1 | |
| SCHEMBL2226897 | 0.82 | TACR3 (0.40) | SLC6A2SLC6A4 | |
| SCHEMBL1720734 | 0.82 | KMT2A (0.40) | KMT2AL3MBTL1 | |
| SCHEMBL459152 | 0.82 | CTSS (0.36) | KMT2AL3MBTL1ADRA1DADRA1AADRA1B | |
| SCHEMBL459500 | 0.81 | HTT (0.34) | SLC6A2SLC6A4KMT2AL3MBTL1 | |
| SCHEMBL462095 | 0.81 | RORC (0.36) | KMT2AL3MBTL1 | |
| SCHEMBL457233 | 0.80 | KMT2A (0.32) | KMT2AL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513052-A1 | PYRROLIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| EP-2513084-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011085886-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |
| WO-2011073160-A1 | PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |