Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11768643 | 0.85 | METAP1 (0.41) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL7887821 | 0.82 | HTR2A (0.45) | BACE1SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL17355136 | 0.82 | TDP1 (0.43) | BACE1KDM1ASIGMAR1METAP1HSD17B3 | |
| SCHEMBL8779056 | 0.80 | F7 (0.39) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL11707926 | 0.78 | HTR2C (0.38) | KDM1AHTR2AHTR2CHTR2BMETAP1 | |
| SCHEMBL11821694 | 0.75 | HTR2C (0.38) | KDM1AHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL7891276 | 0.75 | OTUD7B (0.34) | BACE1KDM1ASIGMAR1HTR2AHTR2C | |
| SCHEMBL11703613 | 0.71 | ALDH1A1 (0.41) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779058 | 0.70 | METAP1 (0.40) | KDM1ASIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL11819675 | 0.70 | TMEM97 (0.42) | SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |