Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.53 |
| ▸ | CHRNG | P07510 | 1/20 | 0.53 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | CHRND | Q07001 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.51 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13146304 | 1.00 | MLYCD (0.54) | MLYCDCES2CES1NPSR1CHRNA1 | |
| SCHEMBL3755988 | 0.86 | HDAC1 (0.67) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL10260172 | 0.86 | MLYCD (0.51) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL25031639 | 0.84 | ALDH1A1 (0.51) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL21555257 | 0.84 | MLYCD (0.50) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL531992 | 0.84 | SMN1; SMN2 (0.57) | MLYCDNPSR1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL14331842 | 0.84 | MLYCD (0.50) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL21240057 | 0.83 | MLYCD (0.49) | MLYCDNPSR1TAS1R3TAS1R1ERN1 | |
| SCHEMBL22151156 | 0.83 | CHRNA1 (0.51) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL319208 | 0.83 | ERN1 (0.49) | MLYCDNPSR1TAS1R3TAS1R1ERN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113227089-B | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 吉利德科学公司 | 2024-07-05 | — | — | CN | disclosed |