Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MBOAT4 | Q96T53 | 10/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11916278 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ENPP1KDM4ETSHRHPGD | |
| SCHEMBL5420423 | 0.74 | ALDH1A1 (0.44) | ADORA2AADORA1ALDH1A1MBOAT4ENPP1 | |
| SCHEMBL5665592 | 0.68 | EGLN2 (0.35) | ALDH1A1 | |
| SCHEMBL3540816 | 0.66 | CSNK1A1 (0.42) | ALDH1A1ENPP1KDM4EHPGDPOLB | |
| SCHEMBL13769115 | 0.66 | MEN1 (0.63) | ALDH1A1TSHRMEN1KMT2APOLB | |
| SCHEMBL11916277 | 0.66 | ALDH1A1 (0.41) | ALDH1A1ENPP1KDM4ETSHRMEN1 | |
| SCHEMBL18879005 | 0.64 | ALDH1A1 (0.38) | ALDH1A1ENPP1KDM4ETSHRHPGD | |
| SCHEMBL22968432 | 0.64 | TSHR (0.50) | ALDH1A1MBOAT4ENPP1TSHR | |
| SCHEMBL609785 | 0.64 | ALDH1A1 (0.67) | ALDH1A1ENPP1KDM4ETSHRHPGD | |
| SCHEMBL20401884 | 0.63 | — | — |
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-111051309-B | Triazolotriazine derivatives useful as A2A receptor antagonists | 浙江春禾医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |