Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891256 | 0.92 | LMNA (0.63) | TSHRLMNAALDH1A1EPHX2KMT2A | |
| SCHEMBL1258535 | 0.86 | TSHR (0.55) | TSHRLMNAALDH1A1EPHX2MEN1 | |
| SCHEMBL9097047 | 0.84 | TSHR (0.50) | TSHRLMNAALDH1A1EPHX2HCAR2 | |
| SCHEMBL10769795 | 0.84 | NR1I2 (0.53) | TSHRLMNAALDH1A1KMT2A | |
| SCHEMBL5439400 | 0.83 | CNR1 (0.41) | TSHRLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL2425661 | 0.79 | TSHR (0.67) | TSHRLMNAALDH1A1EPHX2ALOX5 | |
| SCHEMBL2425660 | 0.79 | TSHR (0.67) | TSHRLMNAALDH1A1EPHX2ALOX5 | |
| SCHEMBL12694289 | 0.79 | TSHR (0.54) | TSHRLMNAALDH1A1EPHX2KEAP1 | |
| SCHEMBL28401213 | 0.79 | TSHR (0.54) | TSHRLMNAALDH1A1EPHX2KEAP1 | |
| SCHEMBL127597 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103193695-A | 3-phenyl-3-pyrrolyl pentane derivative and medical application thereof | UNIV CHINA PHARMA | 2013-07-10 | — | — | CN | claimed |
| CN-103193695-A | 3-phenyl-3-pyrrolyl pentane derivative and medical application thereof | UNIV CHINA PHARMA | 2013-07-10 | — | — | CN | disclosed |
| JP-2004315819-A | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH | 2004-11-11 | — | — | JP | disclosed |