Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GPX4 | P36969 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14228996 | 0.87 | ALDH1A1 (0.47) | ALDH1A1HPGDRAB9ANPC1PAX8 | |
| SCHEMBL14229492 | 0.85 | ALDH1A1 (0.57) | ALDH1A1RAB9ANPC1PAX8TP53 | |
| SCHEMBL14201174 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDRAB9ANPC1PAX8 | |
| SCHEMBL14229279 | 0.84 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1PAX8TP53 | |
| SCHEMBL11299062 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDRAB9ANPC1PAX8 | |
| SCHEMBL14229681 | 0.80 | TP53 (0.56) | ALDH1A1HPGDRAB9ANPC1PAX8 | |
| SCHEMBL14229552 | 0.79 | EPHX2 (0.42) | ALDH1A1HPGDNPC1LTB4R2TACR1 | |
| SCHEMBL14229307 | 0.78 | MLYCD (0.45) | ALDH1A1RAB9ANPC1PAX8TP53 | |
| SCHEMBL14229005 | 0.78 | MLYCD (0.48) | ALDH1A1RAB9ANPC1PAX8TP53 | |
| SCHEMBL14229752 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HPGDRAB9ANPC1GHSR |
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 |