Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NCF1 | P14598 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL21883075 | 0.84 | MAPT (0.43) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL23037546 | 0.83 | KDM1A (0.47) | CYP1A2HTR2CHTR2BNCF1EGFR | |
| SCHEMBL25992599 | 0.82 | MEN1 (0.46) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL23037539 | 0.81 | NCF1 (0.43) | CYP1A2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL29989352 | 0.81 | EGFR (0.57) | CYP1A2EGFRPDGFRBKDR | |
| SCHEMBL29988823 | 0.79 | EGFR (0.55) | EGFRPDGFRBKDR | |
| SCHEMBL28491414 | 0.79 | EGFR (0.55) | EGFRPDGFRBKDR | |
| SCHEMBL30367038 | 0.77 | CYP1A2 (0.50) | CYP1A2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL30367104 | 0.77 | CYP1A2 (0.50) | CYP1A2NCF1EGFRPDGFRBKDR | |
| SCHEMBL23037533 | 0.77 | NPC1 (0.36) | CYP1A2MEN1KMT2ANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825610-B | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-03-31 | — | — | CN | disclosed |