Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.96 |
| ▸ | MEN1 | O00255 | 4/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.63 |
| ▸ | RAB9A | P51151 | 5/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18743368 | 0.84 | MEN1 (0.71) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL18692351 | 0.84 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL20413703 | 0.81 | CYP1A2 (0.68) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL8864119 | 0.81 | CYP1A2 (0.72) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL224624 | 0.81 | CYP1A2 (0.72) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL12918498 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL15485356 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL29396544 | 0.80 | MEN1 (0.64) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL16280011 | 0.80 | MEN1 (0.64) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL31457162 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A |
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-112300157-B | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 烟台大学 | 2021-08-20 | — | — | CN | disclosed |
| CN-112300157-A | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 烟台大学 | 2021-02-02 | — | — | CN | disclosed |