Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9815576 | 0.89 | TSHR (0.53) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL26670106 | 0.85 | TSHR (0.56) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL11860940 | 0.85 | TSHR (0.56) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL18659856 | 0.83 | ALDH1A1 (0.57) | TSHRLMNAKDM4EHPGDALDH1A1 | |
| SCHEMBL8633599 | 0.82 | TSHR (0.46) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL28322754 | 0.82 | KDM4E (0.47) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL8633590 | 0.82 | TSHR (0.46) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL9095382 | 0.81 | CES2 (0.56) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL13703243 | 0.81 | TSHR (0.49) | TSHRL3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL4544966 | 0.81 | TSHR (0.51) | TSHRL3MBTL1TDP1LMNAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109836797-A | A kind of modified polyalcohol resin composite materials and preparation method thereof | 李娜 | 2019-06-04 | — | — | CN | disclosed |
| CN-109777124-A | A kind of modification dimethyl carbonate lotion of hydrolysis and preparation method thereof | 戴�峰 | 2019-05-21 | — | — | CN | disclosed |