Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10300131 | 1.00 | GNRHR (0.42) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL28892479 | 0.92 | ALDH1A1 (0.41) | GNRHRMEN1KMT2ACYP2C19NPC1 | |
| SCHEMBL28893037 | 0.91 | KMT2A (0.40) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL28892160 | 0.89 | GAA (0.42) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL3099715 | 0.89 | LMNA (0.43) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL30001980 | 0.89 | GNRHR (0.36) | GNRHRCYP2C19LMNAALDH1A1GAA | |
| SCHEMBL28892468 | 0.89 | GNRHR (0.36) | GNRHRCYP2C19LMNAALDH1A1GAA | |
| SCHEMBL30002390 | 0.88 | PDE4D (0.37) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL28892461 | 0.88 | PDE4D (0.37) | GNRHRMEN1KMT2ACYP3A4CYP2C19 | |
| SCHEMBL28892882 | 0.88 | ALDH1A1 (0.44) | MEN1KMT2ACYP3A4CYP2C19NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116178389-A | Preparation method of linagoli | 浙江科聚生物医药有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |