Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 3/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL1714571 | 0.82 | TAAR1 (0.56) | LOXL2MAOBCA2CA9CA1 | |
| SCHEMBL7640115 | 0.82 | AGXT (0.56) | MAOBAGXT | |
| Hydrochloric Acid SCHEMBL4377749 | 0.80 | TAAR1 (0.54) | LOXL2MAOBCA2CA9CA1 | |
| SCHEMBL1715325 | 0.80 | HRH3 (0.53) | LOXL2MAOBALDH1A1MAPTMMP2 | |
| SCHEMBL7986752 | 0.80 | ALDH1A1 (0.66) | MAOBALDH1A1MAPTMMP2HRH3 | |
| SCHEMBL11784760 | 0.80 | MAOB (0.57) | LOXL2MAOBCA2CA9CA1 | |
| SCHEMBL23566017 | 0.79 | CA2 (0.52) | LOXL2MAOBCA2CA9CA1 | |
| Hydrochloric Acid SCHEMBL4382750 | 0.79 | HRH3 (0.51) | LOXL2MAOBALDH1A1MAPTMMP2 | |
| SCHEMBL8487924 | 0.79 | HRH3 (0.54) | LOXL2MAOBALDH1A1MAPTMMP2 | |
| SCHEMBL5519875 | 0.78 | HRH3 (0.62) | MAOBALDH1A1MAPTMMP2HRH3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2507243-A1 | SPIROINDOLINONE PYRROLIDINES | F. Hoffmann-La Roche AG (CH) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011134925-A1 | SPIROINDOLINONE PYRROLIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-03 | — | — | WO | disclosed |
| WO-2011067185-A1 | SPIROINDOLINONE PYRROLIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-09 | — | — | WO | disclosed |