Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3347653 | 0.93 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| Toluene SCHEMBL3904509 | 0.80 | REN (0.47) | ALDH1A1SMN1; SMN2KDM4EKMT2A | |
| Toluene SCHEMBL3903571 | 0.79 | SCN8A (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| Toluene SCHEMBL3905036 | 0.79 | SCN8A (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| Toluene SCHEMBL3915331 | 0.79 | SCN8A (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| Toluene SCHEMBL3910413 | 0.77 | REN (0.55) | ALDH1A1CYP1A2CYP3A4KDM4E | |
| Toluene SCHEMBL3916407 | 0.77 | REN (0.51) | KMT2A | |
| Toluene SCHEMBL3916489 | 0.77 | CHRM2 (0.51) | SMN1; SMN2KDM4EKMT2A | |
| Toluene SCHEMBL3904976 | 0.76 | REN (0.53) | KMT2A | |
| Toluene SCHEMBL3905671 | 0.76 | KDM4E (0.46) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | US | disclosed |