Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29959661 | 0.90 | TSHR (0.70) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL307312 | 0.90 | TSHR (0.70) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL21073898 | 0.87 | TSHR (0.66) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL8032067 | 0.87 | TSHR (0.66) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL5509791 | 0.87 | TSHR (0.66) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL3481205 | 0.85 | TSHR (0.64) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL27916053 | 0.84 | TSHR (0.62) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL11767134 | 0.83 | TSHR (0.60) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL27376780 | 0.83 | TSHR (0.60) | TSHRTDP1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL2932050 | 0.82 | TSHR (0.74) | TSHRTDP1SMN1; SMN2LMNAL3MBTL1 |
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-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-104703991-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-06-10 | — | — | CN | disclosed |