Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL27689024 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| Hydrochlorthiazide SCHEMBL27670045 | 0.81 | TSHR (0.65) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL29511002 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| SCHEMBL384312 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| 4-Nitroaniline SCHEMBL27694794 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP3A4MAPTNPBWR1SMN1; SMN2 | |
| Hydrochlorthiazide SCHEMBL27468616 | 0.76 | CYP1A2 (0.46) | ALDH1A1TDP1MAPTHTTPOLB | |
| Methylamine SCHEMBL11819150 | 0.76 | ALDH1A1 (0.91) | ALDH1A1TDP1TSHRCYP3A4MAPT | |
| Nitrobenzene SCHEMBL27321664 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRMAPTSMN1; SMN2HTT | |
| Hydrochlorthiazide SCHEMBL27382645 | 0.75 | ALDH1A1 (0.65) | ALDH1A1TDP1TSHRMAPTNPBWR1 | |
| 3-Nitroaniline SCHEMBL27496538 | 0.75 | ALDH1A1 (0.65) | ALDH1A1TDP1TSHRMAPTALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1295677-A | Method and apparatus for accelerated orthokeratology | EASTA PHARMACEUTICALS INC (US) | 2001-05-16 | — | — | CN | disclosed |