Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.31 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23547599 | 0.86 | NPSR1 (0.44) | GABRA5CYP1A2CYP2C9CYP2D6GRM1 | |
| SCHEMBL23570691 | 0.82 | GABRA5 (0.41) | GABRA5CYP1A2CYP2C9CYP2D6GRM1 | |
| SCHEMBL6339332 | 0.79 | HDAC3 (0.45) | GABRA5HDAC1HDAC6CTSKLMNA | |
| SCHEMBL30457818 | 0.75 | HDAC6 (0.41) | GABRA5CYP1A2CYP2C9CYP2D6GRM1 | |
| SCHEMBL19259693 | 0.75 | ROCK2 (0.41) | CYP1A2CYP2C9CYP2D6NPC1RAB9A | |
| SCHEMBL29999682 | 0.75 | NPC1 (0.36) | CYP1A2CYP2C9CYP2D6NPC1RAB9A | |
| SCHEMBL2909009 | 0.74 | RAB9A (0.39) | NPC1RAB9AHSP90AA1HDAC1HDAC6 | |
| SCHEMBL15110955 | 0.73 | — | — | |
| SCHEMBL2953054 | 0.71 | NPSR1 (0.49) | CYP1A2CYP2C9CYP2D6NPC1RAB9A | |
| SCHEMBL19815098 | 0.70 | GABRA5 (0.42) | GABRA5RAB9AHDAC1HDAC6SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7125883-B1 | Integrin receptor ligands | ABBOTT GMBH & CO. KG (DE) | 2006-10-24 | — | — | US | disclosed |
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |