Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.76 |
| ▸ | CHKA | P35790 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | HBB | P68871 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL1812531 | 0.93 | CHRM5 (0.80) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL8664726 | 0.87 | CHRM5 (1.00) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL189 | 0.87 | — | — | |
| Bromide SCHEMBL1542160 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Bromide SCHEMBL393564 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Phosphine SCHEMBL23270013 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Hydrochloric Acid SCHEMBL9013636 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL4405649 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Water SCHEMBL19285054 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Bromide SCHEMBL393565 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104662033-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-107922349-A | VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS | 哈尔滨珍宝制药有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-101600706-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2009-12-09 | — | — | CN | disclosed |