Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7608007 | 0.95 | SLC6A2 (0.58) | SLC6A2F2KCNH2GRIN2BBCHE | |
| SCHEMBL7613199 | 0.84 | SLC6A2 (0.65) | SLC6A2BCHEACHEGAADYRK1A | |
| SCHEMBL8539866 | 0.79 | BCHE (0.63) | SLC6A2F2KCNH2GRIN2BBCHE | |
| SCHEMBL10336609 | 0.79 | SLC6A2 (0.52) | SLC6A2EGFRMEN1KMT2AGAA | |
| SCHEMBL8539616 | 0.74 | SLC6A2 (0.56) | SLC6A2F2KCNH2GRIN2BMEN1 | |
| SCHEMBL7620289 | 0.73 | BCHE (0.45) | F2KCNH2GRIN2BBCHEACHE | |
| SCHEMBL8836224 | 0.73 | SPHK2 (0.48) | MEN1KMT2ARAB9ANPC1MAOB | |
| SCHEMBL8836219 | 0.73 | LTA4H (0.50) | MEN1KMT2ARAB9ANPC1MAOB | |
| SCHEMBL7620284 | 0.72 | BCHE (0.43) | F2KCNH2GRIN2BBCHEACHE | |
| SCHEMBL8544882 | 0.72 | NPC1 (0.53) | MEN1KMT2ARAB9ANPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0840609-A1 | USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-05-13 | — | — | EP | disclosed |
| WO-1997004777-A1 | USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1997-02-13 | — | — | WO | disclosed |