Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | HEXA | P06865 | 1/20 | 0.37 |
| ▸ | HEXB | P07686 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5683284 | 0.84 | CASP1 (0.47) | CA1CA2CASP1ALDH1A1CA5A | |
| SCHEMBL5679414 | 0.78 | NPC1 (0.44) | L3MBTL1RAB9ANPC1CNR1CNR2 | |
| SCHEMBL31236143 | 0.78 | ACHE (0.52) | L3MBTL1RAB9ANPC1CNR1CNR2 | |
| SCHEMBL7077375 | 0.78 | CHEK1 (0.41) | RAB9ANPC1CA1CA2MEN1 | |
| SCHEMBL14121110 | 0.72 | ALDH1A1 (0.45) | CA1CA2CNR1ACHEMEN1 | |
| SCHEMBL29991060 | 0.71 | CD44 (0.46) | L3MBTL1RAB9ANPC1CA1CA2 | |
| SCHEMBL7484561 | 0.71 | CD44 (0.46) | L3MBTL1RAB9ANPC1CA1CA2 | |
| SCHEMBL9681062 | 0.71 | RAB9A (0.48) | L3MBTL1RAB9ANPC1CNR1CNR2 | |
| SCHEMBL28070083 | 0.71 | NPC1 (0.47) | RAB9ANPC1CNR1CNR2ACLY | |
| SCHEMBL3383961 | 0.70 | CA2 (0.51) | CA1CA2ALDH1A1CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046207-A2 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-12-11 | — | — | WO | disclosed |
| EP-0804464-A1 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996018644-A1 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1996-06-20 | — | — | WO | disclosed |