Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 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 | |
|---|---|---|---|---|
| SCHEMBL19783217 | 1.00 | CYP3A4 (0.43) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL13415695 | 0.81 | GAA (0.44) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL1196608 | 0.81 | RAB9A (0.47) | ALOX15HSD17B10ALDH1A1MAPTKDM4E | |
| SCHEMBL11337728 | 0.81 | HSD17B10 (0.61) | HSD17B10ALDH1A1MAPTKDM4ENPC1 | |
| SCHEMBL28814644 | 0.81 | ALDH1A1 (0.43) | CYP3A4ALOX15HSD17B10ESR2ESR1 | |
| SCHEMBL19782753 | 0.79 | HSD17B10 (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL8975919 | 0.78 | HSD17B10 (0.41) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL5530542 | 0.78 | HSD17B10 (0.68) | CYP3A4HSD17B10ESR2ESR1ALDH1A1 | |
| SCHEMBL9306136 | 0.77 | ALDH1A1 (0.57) | CYP3A4ESR2ESR1ALDH1A1MAPT | |
| SCHEMBL19782466 | 0.75 | ALDH1A1 (0.46) | CYP3A4HSD17B10ALDH1A1KMT2AF2RL3 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |