Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8526677 | 1.00 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| SCHEMBL8526676 | 1.00 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| Hydrochloric Acid SCHEMBL5335563 | 0.99 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| Hydrochloric Acid SCHEMBL5335567 | 0.99 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| SCHEMBL8527164 | 0.92 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| SCHEMBL8527161 | 0.92 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| Hydrochloric Acid SCHEMBL5345420 | 0.91 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| Hydrochloric Acid SCHEMBL5345425 | 0.91 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| SCHEMBL18897543 | 0.90 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CALM1CAMKK2CNR1 | |
| SCHEMBL11385125 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CALM1CAMKK2 |
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-1390023-B1 | PHARMACEUTICAL SALTS OF 1-PHENYL-3-DIMETHYLAMINO-PROPANE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2008-05-14 | — | — | EP | disclosed |