Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30302228 | 0.89 | HTR1A (0.34) | SLC6A1SLC6A11SLC6A13HTR1ASLC6A2 | |
| Benzamide SCHEMBL4259148 | 0.83 | KMT2A (0.41) | TSHRKDM4EMAPTKMT2AATM | |
| SCHEMBL27504346 | 0.82 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL27657052 | 0.82 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL27744409 | 0.82 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL48018 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL27692569 | 0.80 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL15995376 | 0.78 | CYP19A1 (0.39) | LMNACYP2D6 | |
| SCHEMBL27976432 | 0.78 | CYP19A1 (0.42) | SMN1; SMN2 | |
| SCHEMBL27908028 | 0.77 | CYP19A1 (0.38) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 |
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-110325530-A | GLP-1 receptor agonists and uses thereof | 辉瑞大药厂 | 2019-10-11 | — | — | CN | disclosed |
| CN-109715617-A | Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 | 百时美施贵宝公司 | 2019-05-03 | — | — | CN | disclosed |