Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21327526 | 0.83 | NQO1 (0.50) | ACACBNQO1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL21327528 | 0.83 | NQO1 (0.50) | ACACBNQO1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL10928948 | 0.83 | HTT (0.50) | SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL11433632 | 0.83 | ADRB2 (0.47) | ACACBSMN1; SMN2ALDH1A1LMNAMAPK1 | |
| SCHEMBL12517335 | 0.82 | MMP12 (0.53) | ACACBADRB2ADRB1ADRB3MMP12 | |
| SCHEMBL12516202 | 0.81 | MMP12 (0.49) | ALDH1A1S1PR1ADRB2ADRB1ADRB3 | |
| SCHEMBL11100113 | 0.79 | PPARA (0.40) | ACACBS1PR1ADRB2ADRB1ADRB3 | |
| SCHEMBL19425248 | 0.77 | MAPT (0.57) | SMN1; SMN2ALDH1A1MAPTMAPK1ADRB2 | |
| SCHEMBL8293516 | 0.77 | NQO1 (0.56) | ACACBNQO1LMNAMAPTMAPK1 | |
| SCHEMBL10247192 | 0.77 | CYP1A2 (0.43) | MMP12TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005980-B1 | DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1984-08-29 | — | — | EP | disclosed |
| US-4272545-A | FUNGICIDES, BACTERICIDE, ANTIPROTOZOA, SPERMATOCIDE | SYNTEX (U.S.A.) INC. (US) | 1981-06-09 | — | — | US | disclosed |
| US-4213991-A | BACTERICIDES, FUNGICIDES, ANTIPROTOZOA | SYNTEX (U.S.A.) INC. (US) | 1980-07-22 | — | — | US | disclosed |
| EP-0005980-A2 | Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1979-12-12 | — | — | EP | disclosed |