Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9176021 | 0.90 | MAPK1 (0.54) | MAPK1TSHRALDH1A1ALOX15MAPT | |
| SCHEMBL26257500 | 0.83 | PPARG (0.42) | MAOB | |
| SCHEMBL27753299 | 0.78 | MAPK1 (0.45) | MAPK1TSHRALDH1A1ALOX15TDP1 | |
| SCHEMBL18156898 | 0.78 | MAOB (0.50) | MAPK1TSHRALDH1A1ALOX15MAOB | |
| SCHEMBL28778426 | 0.78 | MAPK1 (0.45) | MAPK1ALDH1A1ALOX15MAOBL3MBTL1 | |
| SCHEMBL11625744 | 0.74 | TSHR (0.52) | MAPK1TSHRALDH1A1MAOBMAPT | |
| SCHEMBL10940340 | 0.74 | TSHR (0.52) | MAPK1TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL726130 | 0.74 | TSHR (0.52) | MAPK1TSHRALDH1A1MAOBMAPT | |
| SCHEMBL5016440 | 0.74 | TSHR (0.52) | MAPK1TSHRALDH1A1MAOBMAPT | |
| SCHEMBL603883 | 0.74 | CYP1A2 (0.45) | MAPK1TSHRALDH1A1ALOX15MAOB |
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-2655345-A1 | ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY | SIGMA-TAU Research Switzerland S.A. (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012084602-A1 | ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY | SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |