Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GPX4 | P36969 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14201162 | 0.93 | MLYCD (0.36) | MLYCDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14201130 | 0.87 | MLYCD (0.40) | MLYCDALDH1A1TP53NPC1RAB9A | |
| SCHEMBL14230251 | 0.87 | RIPK1 (0.43) | MLYCDALDH1A1TP53NPC1RAB9A | |
| SCHEMBL14200883 | 0.82 | ALDH1A1 (0.41) | MLYCDALDH1A1TP53NPC1RAB9A | |
| SCHEMBL14229566 | 0.82 | RIPK1 (0.45) | MLYCDSMN1; SMN2MEN1CYP3A4CYP2C9 | |
| SCHEMBL14229061 | 0.80 | TP53 (0.48) | MLYCDALDH1A1TP53NPC1RAB9A | |
| SCHEMBL14201189 | 0.80 | MLYCD (0.46) | MLYCDALDH1A1TP53NPC1RAB9A | |
| SCHEMBL14201195 | 0.80 | POLB (0.33) | RIPK1POLBLMNAPPARGPPARD | |
| SCHEMBL14201151 | 0.80 | POLB (0.32) | MLYCDPOLBPPARGPPARDPPARA | |
| SCHEMBL14201170 | 0.79 | RAB9A (0.57) | ALDH1A1TP53NPC1RAB9AGPX4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| 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 |