Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6872927 | 0.88 | TP53 (0.46) | TP53ALDH1A1GAATSHRMAPT | |
| SCHEMBL6871254 | 0.84 | ADORA2A (0.56) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6870466 | 0.84 | TP53 (0.47) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6863739 | 0.83 | SMN1; SMN2 (0.54) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6871621 | 0.81 | CAMK2D (0.40) | TP53ALDH1A1CYP1A2GAACYP2C19 | |
| SCHEMBL6868276 | 0.81 | TP53 (0.44) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6870464 | 0.80 | ADORA2A (0.42) | KMT2AALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6867096 | 0.80 | TP53 (0.44) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6870348 | 0.80 | ADORA2A (0.56) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6867645 | 0.80 | POLB (0.49) | KMT2ATP53ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |