Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL16562180 | 0.85 | ALDH1A1 (0.69) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL24576223 | 0.85 | NPC1 (0.71) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL2721206 | 0.83 | ALDH1A1 (0.65) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL15514376 | 0.83 | ALDH1A1 (0.65) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL1695235 | 0.83 | NPC1 (0.66) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL885045 | 0.83 | SMN1; SMN2 (0.69) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL16215809 | 0.82 | NPC1 (0.65) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL4588182 | 0.81 | ALDH1A1 (0.62) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL4588187 | 0.81 | ALDH1A1 (0.62) | ALDH1A1PKMNPC1RAB9AHPGD | |
| SCHEMBL16583772 | 0.81 | ALDH1A1 (0.62) | ALDH1A1PKMNPC1RAB9AHPGD |
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-9550742-B2 | 11-OXO-10,11-dihydrodibenzo[B,F][1,4]thiazepine S-oxide derivatives and their use as dopamine D2 receptor antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2017-01-24 | — | — | US | disclosed |