Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2389905 | 0.75 | DRD2 (0.43) | DRD2DRD3TSHRHSD17B10 | |
| SCHEMBL4069966 | 0.75 | HCAR2 (0.32) | — | |
| SCHEMBL12502235 | 0.75 | CHRNB2 (0.33) | CHRNB2CHRNA4 | |
| SCHEMBL1453582 | 0.74 | TSHR (0.46) | KDM4EALDH1A1HPGDHTTDRD2 | |
| SCHEMBL1365606 | 0.73 | RAF1 (0.39) | RAF1CYP11B1CYP11B2CHRNB2CHRNB4 | |
| SCHEMBL12502665 | 0.72 | CYP11B1 (0.35) | CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5667867 | 0.72 | GRM5 (0.59) | — | |
| SCHEMBL7220029 | 0.71 | TSHR (0.44) | RAF1ALDH1A1HPGDCHRNB2CHRNA4 | |
| SCHEMBL155502 | 0.71 | HRH3 (0.31) | — | |
| SCHEMBL6588531 | 0.71 | CHRNB2 (0.39) | CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2394999-A1 | AMINOPYRAZINE DERIVATIVE AND MEDICINE | Nippon Shinyaku Co., Ltd. (JP) | 2011-12-14 | — | — | EP | disclosed |
| US-6200978-B1 | FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS | PFIZER INC. | 2001-03-13 | — | — | US | disclosed |