Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.37 |
| ▸ | RORA | P35398 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | RORB | Q92753 | 1/20 | 0.36 |
| ▸ | PANK1 | Q8TE04 | 1/20 | 0.36 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | ILK | Q13418 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28637173 | 0.86 | AKR1C3 (0.45) | SPRSRCKIF11CYP2C9AKR1C3 | |
| SCHEMBL28626909 | 0.86 | AKR1C3 (0.47) | SPRSRCKIF11CYP2C9MAPT | |
| SCHEMBL28621975 | 0.85 | MEN1 (0.51) | SRCMAPTMCHR1NPY5RPANK1 | |
| SCHEMBL28627007 | 0.84 | SPR (0.48) | SPRSRCMAPTTACR1NPY5R | |
| SCHEMBL28621885 | 0.83 | MEN1 (0.51) | SPRSRCMAPTTACR1MCHR1 | |
| SCHEMBL17968711 | 0.78 | KIF11 (0.49) | SPRSRCKIF11CYP2C9MAPT | |
| SCHEMBL18015724 | 0.76 | KIF11 (0.50) | SRCKIF11CYP2C9MAPTAKR1C3 | |
| SCHEMBL18014737 | 0.74 | KIF11 (0.48) | SRCKIF11CYP2C9MAPTAKR1C3 | |
| SCHEMBL30675229 | 0.73 | SRC (0.45) | SRCKIF11MAPTPTGDR2NPY5R | |
| SCHEMBL8904999 | 0.73 | SRC (0.39) | SRCMAPTTACR1MEN1KMT2A |
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-113429332-B | 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs | 长春工业大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-113429332-A | 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs | 长春工业大学 | 2021-09-24 | — | — | CN | disclosed |