Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL10161460 | 0.78 | — | — | |
| SCHEMBL19472114 | 0.76 | TSHR (0.41) | TSHRALDH1A1KISS1RTDP1RNPEP | |
| SCHEMBL15025844 | 0.76 | TSHR (0.41) | TSHRALDH1A1KISS1RTDP1RNPEP | |
| SCHEMBL8088103 | 0.73 | SLC7A5 (0.54) | TSHRALDH1A1TDP1RNPEPSLC7A5 | |
| SCHEMBL17943255 | 0.73 | SLC7A5 (0.54) | TSHRALDH1A1TDP1RNPEPSLC7A5 | |
| SCHEMBL25751406 | 0.70 | TSHR (0.39) | TSHRALDH1A1TDP1CA2CA1 | |
| SCHEMBL16689236 | 0.70 | ALDH1A1 (0.44) | TSHRALDH1A1KISS1RRNPEP | |
| SCHEMBL25964498 | 0.70 | ALDH1A1 (0.44) | TSHRALDH1A1KISS1RRNPEP | |
| SCHEMBL16123697 | 0.69 | — | — | |
| SCHEMBL17751086 | 0.69 | — | — |
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-2016046843-A1 | PROCESS FOR THE PREPARATION OF (S)-4-METHYL-N-((S)-1-(((S)-4-METHYL-1-((R)-2-METHYLOXIRAN-2-YL)-1-OXO PENTAN-2-YL) AMINO)-1-OXO-3-PHENYLPROPAN-2-YL)-2-((S)-2-(2-MORPHOLINOACETAMIDO)-4-PHENYLBUTANAMIDO) PENTANAMIDE | BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) | 2016-03-31 | — | — | WO | disclosed |