Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31290835 | 0.86 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2HPGDMTNR1AMTNR1B | |
| SCHEMBL11403472 | 0.85 | HPGD (0.78) | ALDH1A1SMN1; SMN2HPGDEPHX2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL30164323 | 0.79 | EPHX2 (0.57) | ALDH1A1SMN1; SMN2HPGDMTNR1AMTNR1B | |
| SCHEMBL13746152 | 0.79 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2EPHX2PKMTSHR | |
| SCHEMBL11399325 | 0.78 | EPHX2 (0.71) | ALDH1A1SMN1; SMN2HPGDEPHX2TSHR | |
| SCHEMBL17048481 | 0.78 | HPGD (0.70) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C19 | |
| SCHEMBL13745650 | 0.77 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A | |
| SCHEMBL16102804 | 0.76 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDMTNR1AMTNR1B | |
| SCHEMBL8132848 | 0.75 | SMN1; SMN2 (0.74) | ALDH1A1SMN1; SMN2HPGDPKMTSHR | |
| SCHEMBL29361009 | 0.75 | SMN1; SMN2 (0.74) | ALDH1A1SMN1; SMN2HPGDPKMTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501467-A4 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-1501467-A2 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | Bristol-Myers Squibb Company (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003088908-A2 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-10-30 | — | — | WO | disclosed |