Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2403174 | 0.80 | ALDH1A1 (0.47) | PTGER1AKR1C2RAB9ANPC1ALDH1A1 | |
| SCHEMBL6823830 | 0.79 | PTGS2 (0.42) | AHRRAB9ANPC1ALDH1A1KDM4E | |
| SCHEMBL20956991 | 0.79 | ESR2 (0.42) | RAB9ANPC1ALDH1A1DHFRSMN1; SMN2 | |
| SCHEMBL15225447 | 0.79 | AHR (0.47) | AHRHSD11B1CYP1B1PTGER1PTGER3 | |
| SCHEMBL10939277 | 0.75 | AHR (0.45) | AHRHSD11B1CYP1B1AKR1C3AKR1C2 | |
| SCHEMBL2432905 | 0.75 | TGFBR1 (0.38) | AKR1C3AKR1C2 | |
| SCHEMBL4431124 | 0.75 | ELANE (0.36) | HSD11B1ALKBH3RAB9ANPC1ALDH1A1 | |
| SCHEMBL4608929 | 0.75 | PTPN1 (0.38) | ALDH1A1 | |
| SCHEMBL2565144 | 0.75 | TDP1 (0.35) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3537988 | 0.74 | ACHE (0.41) | RAB9ANPC1ALDH1A1NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999011633-A1 | TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-11 | — | — | WO | claimed |