Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3344466 | 1.00 | HTR2A (0.42) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL12066463 | 1.00 | HTR2A (0.42) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL27758907 | 0.82 | HTR2A (0.41) | HTR2AHRH1ALDH1A1SIGMAR1LMNA | |
| SCHEMBL27628280 | 0.82 | SIGMAR1 (0.40) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL988241 | 0.80 | SIGMAR1 (0.39) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL18765875 | 0.78 | TSHR (0.39) | HTR2AADRA2BKCNH2ALDH1A1MEN1 | |
| SCHEMBL18765877 | 0.78 | TSHR (0.39) | HTR2AADRA2BKCNH2ALDH1A1MEN1 | |
| SCHEMBL689805 | 0.77 | ALDH1A1 (0.42) | HTR2AHRH1ALDH1A1MEN1KMT2A | |
| SCHEMBL12067933 | 0.77 | ALDH1A1 (0.42) | HTR2AHRH1ALDH1A1MEN1KMT2A | |
| SCHEMBL11778053 | 0.76 | ALDH1A1 (0.38) | HTR2AHRH1ALDH1A1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |