Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | HTR3A | P46098 | 2/20 | 0.56 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.56 |
| ▸ | HTR3B | O95264 | 1/20 | 0.56 |
| ▸ | HTR1D | P28221 | 1/20 | 0.56 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.56 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | IDH2 | P48735 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627622 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL14341303 | 0.81 | HTR2C (0.70) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL6630046 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL5566823 | 0.78 | HTR7 (0.63) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL9401046 | 0.75 | ALDH1A1 (0.57) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL6712209 | 0.74 | HTR2C (0.55) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL6631185 | 0.74 | CYP1A2 (0.52) | ALDH1A1MAPTKDM4ELMNAKMT2A | |
| SCHEMBL4907297 | 0.74 | HTR2C (0.63) | ALDH1A1HTR2CHTR3AHTR3EHTR3B | |
| SCHEMBL6629232 | 0.73 | ADRB1 (0.53) | ALDH1A1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL28338201 | 0.73 | ALDH1A1 (0.78) | ALDH1A1MAPTKDM4ELMNAMEN1 |
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-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |