Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19327473 | 0.71 | PARP1 (0.61) | JAK2PARP1DHODHADORA2AADORA1 | |
| SCHEMBL9107632 | 0.71 | PARP1 (0.50) | PARP1DHODHADORA2AADORA1ALDH1A1 | |
| SCHEMBL7708883 | 0.70 | PDE10A (0.56) | DHODHSMN1; SMN2MAPTAHRKDR | |
| SCHEMBL11416817 | 0.68 | DHODH (0.50) | PARP1DHODHSMN1; SMN2ADORA1ALDH1A1 | |
| SCHEMBL14822647 | 0.68 | JAK2 (0.50) | JAK2PARP1DHODHSMN1; SMN2ALDH1A1 | |
| SCHEMBL11475282 | 0.66 | CYP11B2 (0.53) | JAK2DHODHSMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL15173442 | 0.66 | AHR (0.78) | PARP1DHODHSMN1; SMN2ADORA1MAPT | |
| SCHEMBL11262382 | 0.66 | DHODH (0.55) | PARP1DHODHSMN1; SMN2ADORA1MAPT | |
| SCHEMBL30590678 | 0.66 | JAK2 (0.48) | JAK2PARP1ADORA2AADORA1AHR | |
| SCHEMBL2640477 | 0.66 | JAK2 (1.00) | JAK2ADORA2AADORA1PIK3CDPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |