Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 6/20 | 0.63 |
| ▸ | THRB | P10828 | 6/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | TACR2 | P21452 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SHBG | P04278 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7083684 | 0.83 | THRA (0.65) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL12648633 | 0.83 | THRA (0.67) | THRATHRBMEN1KMT2AALDH1A1 | |
| SCHEMBL2262722 | 0.83 | THRA (0.70) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL2539786 | 0.83 | THRA (0.70) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL8244845 | 0.83 | THRA (0.65) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL18025422 | 0.81 | THRA (0.62) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL2776373 | 0.81 | THRA (0.67) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL29097669 | 0.80 | ESR1 (0.67) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL16582617 | 0.80 | THRA (0.61) | THRATHRBMEN1KMT2AESR1 | |
| SCHEMBL28032480 | 0.80 | THRA (0.61) | THRATHRBMEN1KMT2AESR1 |
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-2015172047-A1 | CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | WO | disclosed |