Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229040 | 0.92 | MLYCD (0.43) | MLYCDTP53AGTR1AGTR2ELANE | |
| SCHEMBL14228877 | 0.92 | MLYCD (0.43) | MLYCDTP53AGTR1AGTR2ELANE | |
| SCHEMBL14543471 | 0.92 | TP53 (0.40) | MLYCDTP53AGTR1AGTR2 | |
| SCHEMBL14228947 | 0.86 | MLYCD (0.38) | MLYCDTP53CYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL14200634 | 0.85 | MLYCD (0.35) | MLYCDAGTR1AGTR2 | |
| SCHEMBL14229161 | 0.83 | TP53 (0.38) | MLYCDTP53 | |
| SCHEMBL14200637 | 0.78 | MLYCD (0.34) | MLYCDNPC1RAB9A | |
| SCHEMBL14200620 | 0.78 | MLYCD (0.34) | MLYCDNPC1RAB9A | |
| SCHEMBL14229201 | 0.77 | HTT (0.45) | TP53AGTR1AGTR2ELANECYP1A2 | |
| SCHEMBL14200618 | 0.77 | — | — |
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 |