Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GPX4 | P36969 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL14201035 | 0.92 | MLYCD (0.38) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14200764 | 0.85 | ALDH1A1 (0.38) | NPSR1ALDH1A1LMNATHRBMLYCD | |
| SCHEMBL14229304 | 0.85 | TP53 (0.49) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14200996 | 0.83 | ALDH1A1 (0.38) | NPSR1ALDH1A1LMNAMLYCDTP53 | |
| SCHEMBL14201017 | 0.80 | CYP1A2 (0.34) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14201033 | 0.79 | IDO1 (0.33) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14200998 | 0.78 | MTNR1A (0.41) | NPSR1CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL14200534 | 0.78 | MLYCD (0.40) | ALDH1A1MLYCDTP53KDM4EPOLB | |
| SCHEMBL14200883 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAMLYCDTP53KDM4E | |
| SCHEMBL14201039 | 0.78 | IDO1 (0.33) | NPSR1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |