Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MARS1 | P56192 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL435070 | 0.81 | AHR (0.45) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL1984033 | 0.79 | AHR (0.44) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL510771 | 0.78 | AHR (0.61) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL29788257 | 0.78 | AHR (0.61) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL18832483 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL618853 | 0.76 | BACE1 (0.39) | ALDH1A1HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL2751781 | 0.76 | AHR (0.50) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL4452800 | 0.75 | CYP2A6 (0.54) | ALDH1A1HPGDNPC1TP53TSHR | |
| SCHEMBL434492 | 0.75 | AHR (0.57) | ALDH1A1HPGDNPC1TP53TSHR | |
| Methane SCHEMBL28774809 | 0.75 | AHR (0.57) | ALDH1A1HPGDNPC1TP53TSHR |
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 | disclosed |
| WO-1996035953-A1 | COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY | ARQULE, INC. (US) | 1996-11-14 | — | — | WO | disclosed |