Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3986805 | 0.82 | NPC1 (0.59) | CYP1A2ALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL2996550 | 0.81 | PDE10A (0.40) | ESR1ESR2CYP1A2ALDH1A1HPGD | |
| SCHEMBL16719973 | 0.80 | ADORA2A (0.42) | ALDH1A1SMN1; SMN2MAPTKDM4ENPC1 | |
| SCHEMBL6499308 | 0.79 | PDGFRB (0.51) | CYP1A2ALDH1A1HPGDMAPTGLA | |
| SCHEMBL12504960 | 0.79 | AR (0.51) | ESR1ESR2ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL16720353 | 0.78 | HSD17B1 (0.46) | ESR1ESR2CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL16720404 | 0.78 | ADORA2A (0.43) | ESR2CYP11B1CYP11B2CYP17A1ALDH1A1 | |
| SCHEMBL16720376 | 0.76 | NPC1 (0.50) | CYP1A2ALDH1A1SMN1; SMN2HPGDCYP2C9 | |
| SCHEMBL15190605 | 0.76 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL12504845 | 0.75 | POLB (0.59) | CYP1A2ALDH1A1SMN1; SMN2HPGDALOX5 |
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-0853764-A1 | COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY | ARQULE, INC. (US) | 1998-07-22 | — | — | EP | claimed |
| WO-1996035953-A1 | COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY | ARQULE, INC. (US) | 1996-11-14 | — | — | WO | claimed |