Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL13675221 | 0.75 | P2RX7 (0.47) | ALDH1A1MAPTP2RX7CYP1A2CYP2D6 | |
| SCHEMBL13522941 | 0.70 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4COMTHTR2A | |
| SCHEMBL8121886 | 0.68 | ALDH1A1 (0.45) | ALDH1A1MAPTP2RX7SMN1; SMN2CYP1A2 | |
| Benzene SCHEMBL27840008 | 0.68 | ALDH1A1 (0.60) | ALDH1A1MAPTHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL2640152 | 0.67 | MAPT (0.44) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21030631 | 0.67 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27002310 | 0.67 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2COMTSCN9A | |
| SCHEMBL15950989 | 0.66 | COMT (0.60) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL26108533 | 0.66 | SCN9A (0.42) | ALDH1A1MAPTP2RX7CYP1A2CYP2D6 | |
| SCHEMBL17369090 | 0.65 | CYP1A2 (0.53) | ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015628-A1 | PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS | NOVARTIS AG (CH) | 2010-02-11 | — | — | WO | disclosed |