Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL6863790 | 0.91 | KIT (0.46) | KITADORA2ANPC1RAB9AMETTL3 | |
| SCHEMBL6870443 | 0.85 | LMNA (0.45) | KITADORA2AKDM4ENPC1ALDH1A1 | |
| SCHEMBL6871448 | 0.83 | ADORA2A (0.65) | KITADORA2ATDP1MMP13 | |
| SCHEMBL6863385 | 0.82 | MEN1 (0.47) | ADORA2ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6871700 | 0.81 | SMN1; SMN2 (0.41) | ADORA2AKDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL6863351 | 0.80 | PLAU (0.47) | ADORA2AKDM4EALDH1A1HPGDCHRM4 | |
| SCHEMBL6863092 | 0.79 | ADORA2A (0.64) | ADORA2AMEN1KMT2A | |
| SCHEMBL6869803 | 0.79 | ADORA2A (0.41) | ADORA2ATDP1MEN1KMT2ACA2 | |
| SCHEMBL6863068 | 0.79 | ADORA2A (0.61) | ADORA2ANPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6870493 | 0.79 | ADORA2A (0.40) | KITADORA2AKDM4ENPC1ALDH1A1 |
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 |