Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | CTSG | P08311 | 2/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.36 |
| ▸ | CMA1 | P23946 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200488 | 0.92 | LTB4R2 (0.39) | LTB4R2NPC1RAB9AMEN1CYP3A4 | |
| SCHEMBL14228936 | 0.87 | LTB4R2 (0.47) | LTB4R2NPC1JAK2RAB9APAX8 | |
| SCHEMBL14200476 | 0.87 | LTB4R2 (0.44) | LTB4R2PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL14200490 | 0.87 | LTB4R2 (0.38) | LTB4R2MEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14200481 | 0.86 | ALDH1A1 (0.46) | LTB4R2NPC1JAK2RAB9APAX8 | |
| SCHEMBL14200990 | 0.85 | RIPK1 (0.37) | PRSS1CTSGCTRB1CMA1NPC1 | |
| SCHEMBL14200442 | 0.85 | MAPK1 (0.37) | NPC1RAB9APAX8CNR2SMN1; SMN2 | |
| SCHEMBL14200432 | 0.85 | EPHX2 (0.41) | LTB4R2NPC1TACR1CYP2C19SMN1; SMN2 | |
| SCHEMBL14200515 | 0.84 | LTB4R2 (0.41) | LTB4R2NPC1RAB9AMEN1CYP3A4 | |
| SCHEMBL14200470 | 0.84 | REN (0.36) | PRSS1CTSGCTRB1CMA1NPC1 |
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-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |