Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31735926 | 1.00 | SLC6A2 (0.51) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL3298701 | 0.85 | RPS6KA5 (0.48) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL31735436 | 0.85 | CDC7 (0.52) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL28670547 | 0.85 | CDC7 (0.52) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL16862138 | 0.81 | SLC6A2 (0.43) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL716278 | 0.79 | SLC6A2 (0.61) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL2263558 | 0.79 | SLC6A2 (0.51) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL19483168 | 0.79 | ALDH1A1 (0.57) | SLC6A2CYP19A1ALDH1A1MAPTFGFR1 | |
| Quinoline SCHEMBL28030912 | 0.79 | ALDH1A1 (0.54) | SLC6A2CDC7CYP19A1ALDH1A1MAPT | |
| SCHEMBL3301121 | 0.78 | CDC7 (0.44) | SLC6A2CDC7CYP19A1ALDH1A1MAPT |
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-112574180-B | N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof | 浙江工业大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-112574180-A | N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof | 浙江工业大学 | 2021-03-30 | — | — | CN | disclosed |