Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10490585 | 0.83 | TSHR (0.49) | TSHRKCNH2NPC1RAB9APAX8 | |
| SCHEMBL10490559 | 0.83 | TSHR (0.49) | TSHRKCNH2NPC1RAB9APAX8 | |
| SCHEMBL9876715 | 0.80 | ABL1 (0.38) | NPC1RAB9APAX8JAK2TRPV1 | |
| SCHEMBL15928727 | 0.77 | TSHR (0.44) | TSHRALDH1A1TP53 | |
| SCHEMBL1498662 | 0.75 | TSHR (0.50) | TSHRKCNH2NPC1RAB9APAX8 | |
| SCHEMBL29451235 | 0.74 | KCNH2 (0.45) | KCNH2NPC1RAB9APAX8JAK2 | |
| Aniline SCHEMBL28090769 | 0.74 | KCNH2 (0.47) | TSHRKCNH2NPC1RAB9APAX8 | |
| SCHEMBL3664908 | 0.74 | TSHR (0.47) | TSHRKCNH2NPC1RAB9APAX8 | |
| SCHEMBL22417042 | 0.73 | ESR1 (0.36) | TSHRALDH1A1TP53 | |
| SCHEMBL16618123 | 0.73 | TSHR (0.47) | TSHRKCNH2NPC1RAB9APAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4981612-A | AZO DYES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |
| US-4946629-A | Optical element having non-linear optical properties including a substrate having a coating of an azo compound | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1990-08-07 | — | — | US | disclosed |