Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22618647 | 1.00 | MAPT (0.40) | MAPTCYP3A4KDM4ENQO2CYP1A2 | |
| SCHEMBL29383412 | 0.96 | NQO2 (0.38) | MAPTCYP3A4KDM4ENQO2CYP1A2 | |
| SCHEMBL22618628 | 0.96 | NQO2 (0.38) | MAPTCYP3A4KDM4ENQO2CYP1A2 | |
| SCHEMBL10351350 | 0.80 | HTR2C (0.57) | HTR2AHTR2CHTR2B | |
| SCHEMBL10351343 | 0.80 | MAOA (0.50) | CYP1A2GAATDP1 | |
| SCHEMBL28702513 | 0.78 | CFD (0.43) | MAPTKDM4ECYP1A2MEN1KMT2A | |
| SCHEMBL22858683 | 0.75 | HTR2C (0.51) | HTR2AHTR2CHTR2B | |
| SCHEMBL29608060 | 0.75 | HTR2C (0.51) | HTR2AHTR2CHTR2B | |
| SCHEMBL29507128 | 0.75 | HTR2C (0.47) | HTR2AHTR2CHTR2B | |
| SCHEMBL22858977 | 0.75 | HTR2C (0.47) | HTR2AHTR2CHTR2B |
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-113574058-B | Indole macrocyclic derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-112533929-B | Indole macrocyclic derivatives, preparation method and medical application thereof | 福建盛迪医药有限公司 | 2022-09-16 | — | — | CN | disclosed |