Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7821876 | 0.80 | DRD1 (0.31) | DRD1 | |
| SCHEMBL7832917 | 0.80 | RXRB (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7830506 | 0.79 | PDPK1 (0.47) | TSHRMAPTTP53ALOX15HSD17B10 | |
| SCHEMBL8929641 | 0.79 | TRPA1 (0.62) | JAK3TRPA1 | |
| SCHEMBL6659233 | 0.75 | TRPA1 (0.60) | TRPA1DRD1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL2623130 | 0.74 | TRPA1 (0.58) | TRPA1DRD1TSHRALDH1A1NPC1 | |
| SCHEMBL822148 | 0.71 | ALDH1A1 (0.47) | TRPA1DRD1ALDH1A1NPC1RAB9A | |
| SCHEMBL7834056 | 0.71 | CDC7 (0.35) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7834633 | 0.71 | MPO (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL18925192 | 0.70 | DRD1 (0.35) | TRPA1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | claimed |
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |
| US-5965563-A | NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-12 | — | — | US | disclosed |