Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25847343 | 0.83 | CYP1A2 (0.42) | HPGDSCYP1A2ADORA2AALDH1A1HPGD | |
| SCHEMBL8473236 | 0.83 | HPGDS (0.43) | HPGDSCYP1A2ADORA2ACYP2A6ALDH1A1 | |
| SCHEMBL29118670 | 0.83 | RAB9A (0.43) | CYP1A2CYP2A6ALDH1A1HPGDMAPT | |
| SCHEMBL10671008 | 0.83 | PDE10A (0.47) | HPGDSCYP1A2ADORA2ACYP2A6ALDH1A1 | |
| SCHEMBL29118727 | 0.81 | NPC1 (0.43) | ABCG2ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL25847342 | 0.80 | HPGDS (0.44) | HPGDSCYP1A2ADORA2AALDH1A1HPGD | |
| SCHEMBL17532866 | 0.79 | LMNA (0.46) | ABCG2HPGDSCYP1A2HPGDHSD17B10 | |
| SCHEMBL29118709 | 0.78 | ALDH1A1 (0.43) | HPGDSCYP1A2ADORA2ACYP2A6ALDH1A1 | |
| SCHEMBL8470595 | 0.77 | ABCG2 (0.35) | ABCG2CYP1A2METAP2ADORA2AALDH1A1 | |
| SCHEMBL8470649 | 0.77 | ABCG2 (0.35) | ABCG2CYP1A2METAP2ADORA2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117186003-A | Preparation method of isoquinoline derivative | 苏州大学 | 2023-12-08 | — | — | CN | disclosed |
| US-5998624-A | MEDICAL DIAGNOSIS; BINDING TO SITE OF INJURY, INFLAMMATION | EMORY UNIVERSITY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998049900-A1 | HALOISOQUINOLINE CARBOXAMIDE | EMORY UNIVERSITY (US) | 1998-11-12 | — | — | WO | disclosed |