Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811836 | 0.93 | SMO (0.56) | SMODRD4MCHR1POLBCD274 | |
| SCHEMBL16811811 | 0.93 | SMO (0.57) | SMODRD4MCHR1POLBCD274 | |
| SCHEMBL16811954 | 0.93 | SMO (0.53) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL18286502 | 0.92 | SMO (0.59) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL18286512 | 0.92 | SMO (0.53) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL18286472 | 0.92 | SMO (0.53) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL16811955 | 0.92 | SMO (0.52) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL16811967 | 0.91 | SMO (0.51) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL16811964 | 0.91 | SMO (0.51) | SMODRD4MEN1KMT2AMCHR1 | |
| SCHEMBL16811782 | 0.90 | SMO (0.68) | SMODRD4POLBCD274CCR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9512106-B2 | Smoothened modulators and methods of use thereof | DUKE UNIVERSITY (US) | 2016-12-06 | — | — | US | disclosed |